CFam Chemical Families Database
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You are searching for "CFAMM00220092" in compound.

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CFAM Mol ID CFAMM00220092
Family CFFID855 Cathepsin F and Cruzipain Inhibitor WRR-99 Family
Superfamily CFSID699 Cathepsin F and Cruzipain Inhibitor WRR-99 Superfamily
Class CFCID492 Class 1842
External ID CHEMBL61928 External Source CHEMBL
PubChem CID 44302273 Functional Category Bioactive
Molecule Name tert-butyl N-[1-[[1-[[(4S,5S)-5-hydroxy-2-methyl-7-(3-methylbutylcarbamoyl)oct-7-en-4-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
IUPAC Name tert-butyl N-[1-[[1-[[(4S,5S)-5-hydroxy-2-methyl-7-(3-methylbutylcarbamoyl)oct-7-en-4-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Synonyms CHEBI:193334
InChi InChI=1S/C32H52N4O6/c1-20(2)15-16-33-28(38)22(5)18-27(37)25(17-21(3)4)35-29(39)23(6)34-30(40)26(19-24-13-11-10-12-14-24)36-31(41)42-32(7,8)9/h10-14,20-21,23,25-27,37H,5,15-19H2,1-4,6-9H3,(H,33,38)(H,34,40)(H,35,39)(H,36,41)/t23?,25-,26?,27-/m0/s1
InChiKey KJXRVOZIOXGWGD-MEDYECGTSA-N
Formula C32H52N4O6 Molecular Weight 588.78
Cross Link CHEMBL61928
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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