CFam Chemical Families Database
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You are searching for "CFAMM00431972" in compound.

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CFAM Mol ID CFAMM00431972
Family CFFBM15059 Pol polyprotein inhibitor AC1NS2O6 family
Superfamily CFSBM103 Pol polyprotein and Matrix metalloproteinase-9 Binder Superfamily
Class CFCBM26 Class 3076
External ID CHEMBL303100 External Source CHEMBL
PubChem CID 5327595 Functional Category Bioactive
Molecule Name AC1NS2O6
IUPAC Name benzyl N-[[4-[[[(2R,3R,4S)-4-[[(2S)-3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-hydroxy-1-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-1-oxo-5-phenylpentan-2-yl]amino]methyl]phenyl]methyl]carbamate
Synonyms 2-Aminobenzyl-Substituted AHPPA deriv. 45;benzyl N-[[4-[[[(2R,3R,4S)-4-[[(2S)-3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-hydroxy-1-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-1-oxo-5-phenylpentan-2-yl]amino]methyl]phenyl]methyl]carbamate
InChi InChI=1S/C50H57N5O8/c1-50(2,3)45(55-49(61)63-32-37-19-11-6-12-20-37)47(59)53-40(27-33-15-7-4-8-16-33)44(57)43(46(58)54-42-39-22-14-13-21-38(39)28-41(42)56)51-29-34-23-25-35(26-24-34)30-52-48(60)62-31-36-17-9-5-10-18-36/h4-26,40-45,51,56-57H,27-32H2,1-3H3,(H,52,60)(H,53,59)(H,54,58)(H,55,61)/t40-,41+,42-,43+,44+,45+/m0/s1
Formula C50H57N5O8 Molecular Weight 856.02
Cross Link CHEMBL303100

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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