药物分析酶

Accession #: P28598   

分子式: C₃₁H₃₈N₄O₇S        分子量: 610.7

IUPAC Name: 4-[[1-[[1-[2-[(1-benzylsulfanyl-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

SMILES: CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)SCC3=CC=CC=C3)NC(=O)CCC(=O)O

InChIKey: TWURVFFNODFJBJ-UHFFFAOYSA-N

InChI: InChI=1S/C31H38N4O7S/c1-20(32-26(36)15-16-27(37)38)28(39)33-21(2)30(41)35-17-9-14-25(35)29(40)34-24(18-22-10-5-3-6-11-22)31(42)43-19-23-12-7-4-8-13-23/h3-8,10-13,20-21,24-25H,9,14-19H2,1-2H3,(H,32,36)(H,33,39)(H,34,40)(H,37,38)

Accession #: P98073   

IUPAC Name: 5-benzyl-8,8-dimethylnon-6-ene-1-sulfonic acid;5-[2-(4-tert-butylphenyl)ethenyl]-7-methyloctane-1-sulfonic acid;8,8-dimethyl-5-phenylnon-6-ene-1-sulfonic acid;5-[(4-fluorophenyl)methyl]-8,8-dimethylnon-6-ene-1-sulfonic acid;5-[(4-methoxyphenyl)methyl]-8,8-dimethylnon-6-ene-1-sulfonic acid

SMILES: CC(C)CC(CCCCS(=O)(=O)O)C=CC1=CC=C(C=C1)C(C)(C)C.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=CC=C1.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=CC=C1.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)OC.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)OC.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)F.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)F.CC(C)(C)C=CC(CCCCS(=O)(=O)O)C1=CC=CC=C1

InChIKey: VRASXGTWKFQRNS-UHFFFAOYSA-N

InChI: InChI=1S/C21H34O3S.2C19H30O4S.2C18H27FO3S.2C18H28O3S.C17H26O3S/c1-17(2)16-19(8-6-7-15-25(22,23)24)10-9-18-11-13-20(14-12-18)21(3,4)5;2*1-19(2,3)13-12-16(7-5-6-14-24(20,21)22)15-17-8-10-18(23-4)11-9-17;2*1-18(2,3)12-11-15(6-4-5-13-23(20,21)22)14-16-7-9-17(19)10-8-16;2*1-18(2,3)13-12-17(11-7-8-14-22(19,20)21)15-16-9-5-4-6-10-16;1-17(2,3)13-12-16(15-9-5-4-6-10-15)11-7-8-14-21(18,19)20/h9-14,17,19H,6-8,15-16H2,1-5H3,(H,22,23,24);2*8-13,16H,5-7,14-15H2,1-4H3,(H,20,21,22);2*7-12,15H,4-6,13-14H2,1-3H3,(H,20,21,22);2*4-6,9-10,12-13,17H,7-8,11,14-15H2,1-3H3,(H,19,20,21);4-6,9-10,12-13,16H,7-8,11,14H2,1-3H3,(H,18,19,20)

IUPAC Name: 5-benzyl-8,8-dimethylnon-6-ene-1-sulfonic acid;5-[2-(4-tert-butylphenyl)ethenyl]-7-methyloctane-1-sulfonic acid;8,8-dimethyl-5-phenylnon-6-ene-1-sulfonic acid;5-[(4-fluorophenyl)methyl]-8,8-dimethylnon-6-ene-1-sulfonic acid;5-[(4-methoxyphenyl)methyl]-8,8-dimethylnon-6-ene-1-sulfonic acid

SMILES: CC(C)CC(CCCCS(=O)(=O)O)C=CC1=CC=C(C=C1)C(C)(C)C.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=CC=C1.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=CC=C1.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)OC.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)OC.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)F.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)F.CC(C)(C)C=CC(CCCCS(=O)(=O)O)C1=CC=CC=C1

InChIKey: VRASXGTWKFQRNS-UHFFFAOYSA-N

InChI: InChI=1S/C21H34O3S.2C19H30O4S.2C18H27FO3S.2C18H28O3S.C17H26O3S/c1-17(2)16-19(8-6-7-15-25(22,23)24)10-9-18-11-13-20(14-12-18)21(3,4)5;2*1-19(2,3)13-12-16(7-5-6-14-24(20,21)22)15-17-8-10-18(23-4)11-9-17;2*1-18(2,3)12-11-15(6-4-5-13-23(20,21)22)14-16-7-9-17(19)10-8-16;2*1-18(2,3)13-12-17(11-7-8-14-22(19,20)21)15-16-9-5-4-6-10-16;1-17(2,3)13-12-16(15-9-5-4-6-10-15)11-7-8-14-21(18,19)20/h9-14,17,19H,6-8,15-16H2,1-5H3,(H,22,23,24);2*8-13,16H,5-7,14-15H2,1-4H3,(H,20,21,22);2*7-12,15H,4-6,13-14H2,1-3H3,(H,20,21,22);2*4-6,9-10,12-13,17H,7-8,11,14-15H2,1-3H3,(H,19,20,21);4-6,9-10,12-13,16H,7-8,11,14H2,1-3H3,(H,18,19,20)

分子式: C₂₈₄H₄₃₂N₈₄O₇₉S₇        分子量: 6511.44

IUPAC Name: 4-[[1-[[29a,62a,69,84-tetrakis(4-aminobutyl)-35a,75,78-tris(2-amino-2-oxoethyl)-14a-(3-amino-3-oxopropyl)-8a,41a,72-tribenzyl-50a,53a-di(butan-2-yl)-47a,48,56a,81,90-pentakis(3-carbamimidamidopropyl)-31,60-bis(2-carboxyethyl)-42-[[2-[[2-(1-carboxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-57-(carboxymethyl)-11a,13,45-tris(1-hydroxyethyl)-66-(hydroxymethyl)-2a,16,38a,44a-tetrakis[(4-hydroxyphenyl)methyl]-26a,32a,59a,63,87-pentamethyl-20a,34-bis(2-methylpropyl)-51-(2-methylsulfanylethyl)-1a,3,4a,7a,9,10a,12,13a,15,16a,18,19a,22a,24,25a,28a,30,31a,33,34a,36,37a,40a,43a,44,46a,47,49a,50,52a,53,55a,56,58a,59,61a,62,64a,65,68,71,74,77,80,83,86,89,92,95,98-pentacontaoxo-5a-propan-2-yl-39,40,66a,67a,70a,71a-hexathia-a,2,3a,6a,8,9a,11,12a,14,15a,17,18a,21a,23,24a,27a,29,30a,32,33a,35,36a,39a,42a,43,45a,46,48a,49,51a,52,54a,55,57a,58,60a,61,63a,64,67,70,73,76,79,82,85,88,91,94,97-pentacontazahexacyclo[91.71.4.454,117.04,8.019,23.025,29]doheptacontahectan-37-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-[[1-(2-amino-5-carbamimidamidopentanoyl)pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid

SMILES: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N4CCCC4C(=O)N5CCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)N6CCCC6C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3)CC(=O)O)CCC(=O)O)C)CO)CCCCN)CC7=CC=CC=C7)CC(=O)N)CC(=O)N)CCCNC(=N)N)CCCCN)C)CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CCC(=O)N)C(C)O)CC8=CC=CC=C8)C(C)C)CC9=CC=C(C=C9)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCNC(=N)N)C)CCCCN)C(C)O)CC1=CC=C(C=C1)O)CCC(=O)O)CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)N)C(=O)NCC(=O)NCC(=O)NC(C)C(=O)O)C(C)O)CCCNC(=N)N)CCSC)CC(C)C)C)CCCCN)C)CC(=O)N)CC1=CC=C(C=C1)O)CC1=CC=CC=C1)CC1=CC=C(C=C1)O)CCCNC(=N)N)C(C)CC

InChIKey: ZPNFWUPYTFPOJU-UHFFFAOYSA-N

InChI: InChI=1S/C284H432N84O79S7/c1-21-144(9)222-271(439)337-174(68-46-105-309-282(300)301)239(407)340-187(120-160-77-85-164(374)86-78-160)251(419)341-185(116-156-55-29-24-30-56-156)250(418)342-188(121-161-79-87-165(375)88-80-161)252(420)346-191(123-208(291)378)246(414)322-149(14)230(398)326-168(62-35-39-98-285)234(402)319-146(11)227(395)314-132-215(385)324-181(113-141(3)4)247(415)354-199-137-452-453-138-200-263(431)336-179(97-112-448-20)242(410)331-176(70-48-107-311-284(304)305)244(412)363-226(154(19)372)274(442)358-197(233(401)316-129-212(382)312-130-213(383)318-151(16)278(446)447)135-449-451-139-201(355-253(421)186(117-157-57-31-25-32-58-157)344-256(424)195(127-220(393)394)350-267(435)204-72-50-109-366(204)275(443)167(289)61-43-102-306-279(294)295)265(433)339-182(114-142(5)6)248(416)338-180(93-96-218(389)390)276(444)368-111-52-74-206(368)277(445)367-110-51-73-205(367)268(436)349-189(122-162-81-89-166(376)90-82-162)259(427)362-224(152(17)370)269(437)317-133-216(386)365-108-49-71-203(365)266(434)357-202(264(432)333-169(63-36-40-99-286)235(403)320-148(13)229(397)328-175(69-47-106-310-283(302)303)243(411)360-223(145(10)22-2)272(440)361-222)140-454-450-136-198(325-214(384)131-313-211(381)128-315-232(400)183(119-159-75-83-163(373)84-76-159)351-270(438)221(143(7)8)359-258(426)190(118-158-59-33-26-34-60-158)352-273(441)225(153(18)371)364-245(413)177(335-262(199)430)91-94-207(290)377)261(429)334-172(66-44-103-307-280(296)297)236(404)321-147(12)228(396)327-170(64-37-41-100-287)237(405)330-173(67-45-104-308-281(298)299)238(406)345-192(124-209(292)379)255(423)347-193(125-210(293)380)254(422)343-184(115-155-53-27-23-28-54-155)249(417)332-171(65-38-42-101-288)240(408)353-196(134-369)260(428)323-150(15)231(399)329-178(92-95-217(387)388)241(409)348-194(126-219(391)392)257(425)356-200/h23-34,53-60,75-90,141-154,167-206,221-226,369-376H,21-22,35-52,61-74,91-140,285-289H2,1-20H3,(H2,290,377)(H2,291,378)(H2,292,379)(H2,293,380)(H,312,382)(H,313,381)(H,314,395)(H,315,400)(H,316,401)(H,317,437)(H,318,383)(H,319,402)(H,320,403)(H,321,404)(H,322,414)(H,323,428)(H,324,385)(H,325,384)(H,326,398)(H,327,396)(H,328,397)(H,329,399)(H,330,405)(H,331,410)(H,332,417)(H,333,432)(H,334,429)(H,335,430)(H,336,431)(H,337,439)(H,338,416)(H,339,433)(H,340,407)(H,341,419)(H,342,418)(H,343,422)(H,344,424)(H,345,406)(H,346,420)(H,347,423)(H,348,409)(H,349,436)(H,350,435)(H,351,438)(H,352,441)(H,353,408)(H,354,415)(H,355,421)(H,356,425)(H,357,434)(H,358,442)(H,359,426)(H,360,411)(H,361,440)(H,362,427)(H,363,412)(H,364,413)(H,387,388)(H,389,390)(H,391,392)(H,393,394)(H,446,447)(H4,294,295,306)(H4,296,297,307)(H4,298,299,308)(H4,300,301,309)(H4,302,303,310)(H4,304,305,311)

分子式: C₃₁H₅₂N₂O₂₃        分子量: 820.74

IUPAC Name: (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-5-acetamido-1,2-dihydroxy-6-oxo-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

SMILES: CC1C(C(C(C(O1)OC(C(C=O)NC(=O)C)C(C(CO)O)OC2C(C(C(C(O2)CO)O)OC3(CC(C(C(O3)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O

InChIKey: LAQPKDLYOBZWBT-NYLDSJSYSA-N

InChI: InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1

分子式: C₃₁H₃₈N₄O₇S        分子量: 610.7

IUPAC Name: 4-[[1-[[1-[2-[(1-benzylsulfanyl-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

SMILES: CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)SCC3=CC=CC=C3)NC(=O)CCC(=O)O

InChIKey: TWURVFFNODFJBJ-UHFFFAOYSA-N

InChI: InChI=1S/C31H38N4O7S/c1-20(32-26(36)15-16-27(37)38)28(39)33-21(2)30(41)35-17-9-14-25(35)29(40)34-24(18-22-10-5-3-6-11-22)31(42)43-19-23-12-7-4-8-13-23/h3-8,10-13,20-21,24-25H,9,14-19H2,1-2H3,(H,32,36)(H,33,39)(H,34,40)(H,37,38)

IUPAC Name: propan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate

SMILES: CC(C)OC(=O)NC1=CC2=C(C=C1)N=C(N2)C3=CSC=N3

InChIKey: QZWHWHNCPFEXLL-UHFFFAOYSA-N

InChI: InChI=1S/C14H14N4O2S/c1-8(2)20-14(19)16-9-3-4-10-11(5-9)18-13(17-10)12-6-21-7-15-12/h3-8H,1-2H3,(H,16,19)(H,17,18)