CFam Chemical Families Database
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You are searching for "CFAMM00295002" 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 CFAMM00295002
Family CFFID3631 Genome polyprotein Inhibitor Acasp-glu-dif-glu-cha-cys Family
Superfamily CFSAD173 Vasopressin V1a receptor Ligand Felypressin Superfamily
Class CFCAD168 Class 168
External ID CHEMBL262654 External Source CHEMBL
PubChem CID 44345451 Functional Category Bioactive
Molecule Name (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(3R)-5-(benzylamino)-1,1,1-trifluoro-4,5-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-(2-methylphenyl)-1-oxopropan-2-yl]amino]-4-[[(2S)-3-carboxy-2-(3-carboxypropanoylamino)propanoyl]amino]-5-oxopentanoic acid
IUPAC Name (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(3R)-5-(benzylamino)-1,1,1-trifluoro-4,5-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-(2-methylphenyl)-1-oxopropan-2-yl]amino]-4-[[(2S)-3-carboxy-2-(3-carboxypropanoylamino)propanoyl]amino]-5-oxopentanoic acid
Synonyms CHEBI:296146
InChi InChI=1S/C47H62F3N7O14/c1-25(2)20-30(41(67)56-33(23-47(48,49)50)38(65)44(70)51-24-27-13-8-7-9-14-27)55-45(71)39(46(4,5)6)57-43(69)31(21-28-15-11-10-12-26(28)3)54-40(66)29(16-18-35(59)60)53-42(68)32(22-37(63)64)52-34(58)17-19-36(61)62/h7-15,25,29-33,39H,16-24H2,1-6H3,(H,51,70)(H,52,58)(H,53,68)(H,54,66)(H,55,71)(H,56,67)(H,57,69)(H,59,60)(H,61,62)(H,63,64)/t29-,30-,31-,32-,33+,39+/m0/s1
InChiKey FRGWURYHPUCUDI-VNKKIWOVSA-N
Formula C47H62F3N7O14 Molecular Weight 1006.03
Cross Link CHEMBL262654
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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