CFam Chemical Families Database
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You are searching for "CFAMM00330952" in compound.

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CFAM Mol ID CFAMM00330952
Family CFFBM2162 Pol polyprotein inhibitor AC1LAPRV family
Superfamily CFSBM867 Pol polyprotein and Collagenase 3 Binder Superfamily
Class CFCBM337 Class 3387
External ID CHEMBL125538 External Source CHEMBL
PubChem CID 492891 Functional Category Bioactive
Molecule Name AC1LAPS7
IUPAC Name tert-butyl N-[(3S,6S,9S)-3-[(1R)-2-[(4-acetamidophenyl)sulfonyl-(3-methylbutyl)amino]-1-hydroxyethyl]-6-butyl-5,8-dioxo-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-9-yl]carbamate
Synonyms Macrocycle-containing Compound 9e;Carbamic acid, [(7S,10S,13S)-13-[(1R)-2-[[[4-(acetylamino)phenyl]sulfonyl](3-methylbutyl)amino]-1-hydroxyethyl]-10-butyl-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.2.2]nonadeca-15,17,18-trien-7-yl]-, 1,1-d;tert-butyl N-[(3S,6S,9S)-3-[(1R)-2-[(4-acetamidophenyl)sulfonyl-(3-methylbutyl)amino]-1-hydroxyethyl]-6-butyl-5,8-dioxo-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-9-yl]carbamate
InChi InChI=1S/C40H61N5O9S/c1-8-9-12-33-37(48)43-35(36(47)26-45(23-22-27(2)3)55(51,52)32-20-16-30(17-21-32)41-28(4)46)25-29-14-18-31(19-15-29)53-24-11-10-13-34(38(49)42-33)44-39(50)54-40(5,6)7/h14-21,27,33-36,47H,8-13,22-26H2,1-7H3,(H,41,46)(H,42,49)(H,43,48)(H,44,50)/t33-,34-,35-,36+/m0/s1
Formula C40H61N5O9S Molecular Weight 788.01
Cross Link CHEMBL125538

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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