CFam Chemical Families Database
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You are searching for "CFAMM00220028" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00220028
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 CHEMBL95316 External Source CHEMBL
PubChem CID 5479277 Functional Category Bioactive
Molecule Name AC1NUI0H
IUPAC Name tert-butyl N-[(2S,3S,5R)-6-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate
Synonyms L-682, 679 analog 21;N-[5(S)-[(tert-Butoxycarbonyl)amino]-4(S)-hydroxy-6-phenyl-2(R)-(phenylmethyl)hexanoyl]serine amide;tert-butyl N-[(2S,3S,5R)-6-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate
InChi InChI=1S/C27H37N3O6/c1-27(2,3)36-26(35)30-21(15-19-12-8-5-9-13-19)23(32)16-20(14-18-10-6-4-7-11-18)25(34)29-22(17-31)24(28)33/h4-13,20-23,31-32H,14-17H2,1-3H3,(H2,28,33)(H,29,34)(H,30,35)/t20-,21+,22+,23+/m1/s1
InChiKey JPGLOJKGALKWIG-LDVJMBRRSA-N
Formula C27H37N3O6 Molecular Weight 499.60
Cross Link CHEMBL95316
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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