CFAM Mol ID	CFAMM00186623
Family	CFFID293 Prothrombin Inhibitor Efegatran Family
Superfamily	CFSID21 Prothrombin and Neuromedin-K receptor Binder Superfamily
Class	CFCID12 Class 1362
External ID	CHEMBL289477	External Source	CHEMBL
PubChem CID	44287757	Functional Category	Bioactive
Molecule Name	tert-butyl N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamate
IUPAC Name	tert-butyl N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamate
Synonyms	CHEBI:160817
InChi	InChI=1S/C30H45N9O5/c1-30(2,3)44-29(43)39-23(14-8-16-36-28(33)34)25(41)38-24(17-20-11-6-10-19-9-4-5-13-22(19)20)26(42)37-21(18-40)12-7-15-35-27(31)32/h4-6,9-11,13,18,21,23-24H,7-8,12,14-17H2,1-3H3,(H,37,42)(H,38,41)(H,39,43)(H4,31,32,35)(H4,33,34,36)/t21?,23-,24-/m0/s1
InChiKey	QPQSHPSULBHAHP-BCXZNTRWSA-N
Formula	C30H45N9O5	Molecular Weight	611.74
Cross Link	CHEMBL289477
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

48709 visits since 2014 .........

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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