CFAM Mol ID	CFAMM00435093
Family	CFFBM15605 Pol polyprotein inhibitor AC1LA3C0 family
Superfamily	CFSBM4600 Cytochrome P450 3A4 and Corticosteroid 11-beta-dehydrogenase isozyme 1 Binder Superfamily
Class	CFCID1194 Class 2544
External ID	CHEMBL94078	External Source	CHEMBL
PubChem CID	454384	Functional Category	Bioactive
Molecule Name	AC1L9RLT
IUPAC Name	tert-butyl N-[(2S,3S,5S)-3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,6-diphenylhexan-2-yl]carbamate
Synonyms	SureCN7301095;CHEBI:249175;Urethane dipeptide isostere tBuOCO (S) deriv.;(2S,4S,5S)-2,5-Bis[[(1,1-dimethylethoxy)carbonyl]amino]-1,6-diphenyl-4-hydroxyhexane;tert-butyl N-[(2S,3S,5S)-3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,6-diphenylhexan-2-yl]carbamate
InChi	InChI=1S/C28H40N2O5/c1-27(2,3)34-25(32)29-22(17-20-13-9-7-10-14-20)19-24(31)23(18-21-15-11-8-12-16-21)30-26(33)35-28(4,5)6/h7-16,22-24,31H,17-19H2,1-6H3,(H,29,32)(H,30,33)/t22-,23-,24-/m0/s1
InChiKey	OOIYXWDMQADHBI-HJOGWXRNSA-N
Formula	C28H40N2O5	Molecular Weight	484.63
Cross Link	CHEMBL94078
Structure

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).

Last update by

2014.08.29

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore

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