CFam Chemical Families Database
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You are searching for "CFAMM00257238" in compound.

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CFAM Mol ID CFAMM00257238
Family CFFID2017 Cathepsin B and Cathepsin S Inhibitor Ac-hphe-leu-ala-leuvsme Family
Superfamily CFSCD668 Litronesib Superfamily
Class CFCCD472 Class 1285
External ID CHEMBL328637 External Source CHEMBL
PubChem CID 44330278 Functional Category Bioactive
Molecule Name 2-[[(3S)-3-[[(6S,8aS)-2-benzylsulfonyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carbonyl]amino]-3-(4-aminocyclohexyl)-2-oxopropanoyl]amino]acetic acid
IUPAC Name 2-[[(3S)-3-[[(6S,8aS)-2-benzylsulfonyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carbonyl]amino]-3-(4-aminocyclohexyl)-2-oxopropanoyl]amino]acetic acid
Synonyms CHEBI:261414
InChi InChI=1S/C26H35N5O8S/c27-18-8-6-17(7-9-18)23(24(35)26(37)28-12-22(33)34)29-25(36)20-11-10-19-13-30(14-21(32)31(19)20)40(38,39)15-16-4-2-1-3-5-16/h1-5,17-20,23H,6-15,27H2,(H,28,37)(H,29,36)(H,33,34)/t17?,18-,19-,20-,23-/m0/s1
InChiKey FTIYOMFLKBWGLH-PEELRYGYSA-N
Formula C26H35N5O8S Molecular Weight 577.65
Cross Link CHEMBL328637
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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