CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00295498" in compound.

Total 1 results found.

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 CFAMM00295498
Family CFFID3649 Genome polyprotein Inhibitor Acasp-glu-cha-val-prb-cys Family
Superfamily CFSID2502 Genome polyprotein Inhibitor Acasp-glu-cha-val-prb-cys Superfamily
Class CFCID1483 Class 2833
External ID CHEMBL434033 External Source CHEMBL
PubChem CID 44353016 Functional Category Bioactive
Molecule Name 6-[[(2R)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-[[(2S)-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid
IUPAC Name 6-[[(2R)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-4-(naphthalene-2-carbonyloxy)-2-[[(2S)-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid
Synonyms CHEBI:315935
InChi InChI=1S/C36H48N4O9/c1-6-26(20-41)37-33(45)28-18-27(49-36(48)25-16-15-23-11-7-8-12-24(23)17-25)19-40(28)35(47)32(22(4)5)39-34(46)31(21(2)3)38-29(42)13-9-10-14-30(43)44/h7-8,11-12,15-17,20-22,26-28,31-32H,6,9-10,13-14,18-19H2,1-5H3,(H,37,45)(H,38,42)(H,39,46)(H,43,44)/t26-,27+,28-,31+,32-/m0/s1
InChiKey URHRYXMPBLWUFT-RYDNSKGNSA-N
Formula C36H48N4O9 Molecular Weight 680.79
Cross Link CHEMBL434033
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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