CFam Chemical Families Database
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You are searching for "CFAMM00234127" in compound.

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CFAM Mol ID CFAMM00234127
Family CFFID1277 Cathepsin B and Cathepsin K Inhibitor Z-ala-leu-lle-agly-ile-val-ome Family
Superfamily CFSID1020 Cathepsin B and Cathepsin K Binder Superfamily
Class CFCID697 Class 2047
External ID DNC004066 External Source TTD
PubChem CID 44355111 Functional Category Investigative Drug
Molecule Name Z-Arg-Leu-Val-Agly-Val-Ala-NH2
IUPAC Name benzyl N-[1-[[1-[[1-[2-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamate
Synonyms CHEBI:321316;Z-Arg-Leu-Val-Agly-Val-Ala-NH2;DNC004066;benzyl N-[1-[[1-[[1-[2-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamate
InChi InChI=1S/C34H57N11O8/c1-18(2)16-24(40-28(47)23(14-11-15-38-32(36)37)41-34(52)53-17-22-12-9-8-10-13-22)29(48)42-26(20(5)6)31(50)44-45-33(51)43-25(19(3)4)30(49)39-21(7)27(35)46/h8-10,12-13,18-21,23-26H,11,14-17H2,1-7H3,(H2,35,46)(H,39,49)(H,40,47)(H,41,52)(H,42,48)(H,44,50)(H4,36,37,38)(H2,43,45,51)
InChiKey OILQRSUIXCAKPE-UHFFFAOYSA-N
Formula C34H57N11O8 Molecular Weight 747.89
Cross Link
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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