CFam Chemical Families Database
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You are searching for "CFAMM00039653" in compound.

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CFAM Mol ID CFAMM00039653
Family CFFAD224 Oxytocin receptor Ligand Oxytocin Family
Superfamily CFSAD18 Oxytocin receptor and Vasopressin V2 receptor Binder Superfamily
Class CFCAD18 Class 18
External ID CHEMBL170858 External Source CHEMBL
PubChem CID 44382893 Functional Category Bioactive
Molecule Name (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-3-phenylpropan-2-yl]amino]propan-2-yl]butanamide
IUPAC Name (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-3-phenylpropan-2-yl]amino]propan-2-yl]butanamide
Synonyms CHEBI:385824
InChi InChI=1S/C36H46N6O6S/c1-23(27-12-8-5-9-13-27)39-32(44)22-38-35(47)31(21-25-10-6-4-7-11-25)42-33(45)24(2)40-36(48)30(18-19-49-3)41-34(46)29(37)20-26-14-16-28(43)17-15-26/h4-17,23-24,29-31,43H,18-22,37H2,1-3H3,(H,38,47)(H,39,44)(H,40,48)(H,41,46)(H,42,45)/t23?,24-,29-,30+,31-/m0/s1
InChiKey VOPUJYANSMLOHO-AYJPGOBNSA-N
Formula C36H46N6O6S Molecular Weight 690.85
Cross Link CHEMBL170858
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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