CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00177815" in compound.

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CFAM Mol ID CFAMM00177815
Family CFFID65 Flovagatran family
Superfamily CFSID50 Cathepsin B and Cathepsin L1 Binder Superfamily
Class CFCAD610 Class 610
External ID CHEMBL47533 External Source CHEMBL
PubChem CID 44291382 Functional Category Bioactive
Molecule Name (2S)-2-[[(2S)-3-carboxy-2-[(3S)-3-[[(2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxopyrrolidin-1-yl]propanoyl]amino]-4-methylpentanoic acid;2,2,2-trifluoroacetic acid
IUPAC Name (2S)-2-[[(2S)-3-carboxy-2-[(3S)-3-[[(2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxopyrrolidin-1-yl]propanoyl]amino]-4-methylpentanoic acid;2,2,2-trifluoroacetic acid
Synonyms CHEBI:168647
InChi InChI=1S/C28H41N7O9.C2HF3O2/c1-16(2)13-20(26(41)42)33-24(39)21(14-22(36)37)35-12-10-19(25(35)40)32-23(38)18(9-6-11-31-27(29)30)34-28(43)44-15-17-7-4-3-5-8-17;3-2(4,5)1(6)7/h3-5,7-8,16,18-21H,6,9-15H2,1-2H3,(H,32,38)(H,33,39)(H,34,43)(H,36,37)(H,41,42)(H4,29,30,31);(H,6,7)/t18-,19-,20-,21-;/m0./s1
InChiKey GPUYIHRGJAVJPZ-NCEXEODOSA-N
Formula C30H42F3N7O11 Molecular Weight 733.69
Cross Link CHEMBL47533
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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