化学生物学

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  1. D-生物素
    CAS号 : 58-85-5        Compound CID : 171548
    分子式: C10H16N2O3S        分子量: 244.31
    IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
    SMILES: [H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2
    InChIKey: YBJHBAHKTGYVGT-ZKWXMUAHSA-N
    InChI: InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
  2. 吲哚菁绿(ICG)
    CAS号 : 3599-32-4        Compound CID : 11967809
    分子式: C43H47N2NaO6S2        分子量: 774.96
    IUPAC Name: sodium;4-[(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate
    SMILES: CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])C=CC=CC=CC=C4C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C.[Na+]
    InChIKey: MOFVSTNWEDAEEK-UHFFFAOYSA-M
    InChI: InChI=1S/C43H48N2O6S2.Na/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51;/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51);/q;+1/p-1
  3. ML-SA1
    CAS号 : 332382-54-4        Compound CID : 2880983
    分子式: C22H22N2O3        分子量: 362.42
    IUPAC Name: 2-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]isoindole-1,3-dione
    SMILES: CC1CC(N(C2=CC=CC=C12)C(=O)CN3C(=O)C4=CC=CC=C4C3=O)(C)C
    InChIKey: KDDHBJICVBONAX-UHFFFAOYSA-N
    InChI: InChI=1S/C22H22N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27/h4-11,14H,12-13H2,1-3H3
  4. Azido-PEG4-Val-Cit-PAB-OH
    CAS号 : 2055024-64-9        Compound CID : 119058238
    分子式: C29H48N8O9        分子量: 652.8
    IUPAC Name: (2S)-2-[[(2S)-2-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]pentanamide
    SMILES: CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCOCCOCCOCCOCCN=[N+]=[N-]
    InChIKey: AXRCLOURQJMPLC-AHWVRZQESA-N
    InChI: InChI=1S/C29H48N8O9/c1-21(2)26(36-25(39)9-12-43-14-16-45-18-19-46-17-15-44-13-11-33-37-31)28(41)35-24(4-3-10-32-29(30)42)27(40)34-23-7-5-22(20-38)6-8-23/h5-8,21,24,26,38H,3-4,9-20H2,1-2H3,(H,34,40)(H,35,41)(H,36,39)(H3,30,32,42)/t24-,26-/m0/s1
  5. DADPS生物素叠氮化物(DADPS Biotin Azide)
    CAS号 : 1260247-50-4       
    分子式: C43H67N7O9SSi        分子量: 886.18
    IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[2-[6-azidohexoxy(diphenyl)silyl]oxy-2-methylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
    SMILES: CC(C)(CNC(=O)CCOCCOCCOCCOCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)OCCCCCCN=[N+]=[N-]
    InChIKey: CSHHHVOFXKFHMG-PCXFPAGCSA-N
    InChI: InChI=1S/C43H67N7O9SSi/c1-43(2,59-61(35-15-7-5-8-16-35,36-17-9-6-10-18-36)58-24-14-4-3-13-22-47-50-44)34-46-40(52)21-25-54-27-29-56-31-32-57-30-28-55-26-23-45-39(51)20-12-11-19-38-41-37(33-60-38)48-42(53)49-41/h5-10,15-18,37-38,41H,3-4,11-14,19-34H2,1-2H3,(H,45,51)(H,46,52)(H2,48,49,53)/t37-,38-,41-/m0/s1
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