CFam Chemical Families Database
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You are searching for "CFAMM00295017" in compound.

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CFAM Mol ID CFAMM00295017
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 CHEMBL409677 External Source CHEMBL
PubChem CID 501503 Functional Category Bioactive
Molecule Name AC1L9V5I
IUPAC Name (4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-3-cyclohexyl-1-[[(2S)-4,4-difluoro-1-oxo-1-(2-phenylethylamino)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid
Synonyms CHEBI:291732;(4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-3-cyclohexyl-1-[[(2S)-4,4-difluoro-1-oxo-1-(phenethylamino)butan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid;L-Alaninamide, N-acetyl-L-.alpha.-aspartyl-L-.alpha.-glutamyl-.beta.-phenyl-L-phenylalanyl-L-.alpha.-glutamyl-3-cyclohexyl-N1-[(1S)-3,3-difluoro-1-[[(2-phenylethyl)amino]carbonyl]propyl]-
InChi InChI=1S/C52H65F2N7O13/c1-31(62)56-40(30-44(67)68)51(73)57-37(23-25-43(65)66)49(71)61-46(45(34-18-10-4-11-19-34)35-20-12-5-13-21-35)52(74)58-36(22-24-42(63)64)48(70)59-38(28-33-16-8-3-9-17-33)50(72)60-39(29-41(53)54)47(69)55-27-26-32-14-6-2-7-15-32/h2,4-7,10-15,18-21,33,36-41,45-46H,3,8-9,16-17,22-30H2,1H3,(H,55,69)(H,56,62)(H,57,73)(H,58,74)(H,59,70)(H,60,72)(H,61,71)(H,63,64)(H,65,66)(H,67,68)/t36-,37-,38-,39-,40-,46-/m0/s1
InChiKey YROXKHKMMWFHOY-ZVNYPHDXSA-N
Formula C52H65F2N7O13 Molecular Weight 1034.11
Cross Link CHEMBL409677
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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Professor in Department of Pharmacy
National University of Singapore, Singapore


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