CFam Chemical Families Database
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You are searching for "CFAMM00039505" in compound.

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CFAM Mol ID CFAMM00039505
Family CFFAD224 Oxytocin receptor Ligand Oxytocin Family
Superfamily CFSAD18 Oxytocin receptor and Vasopressin V2 receptor Binder Superfamily
Class CFCAD18 Class 18
External ID CHEMBL125564 External Source CHEMBL
PubChem CID 14019974 Functional Category Bioactive
Molecule Name (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoic acid
IUPAC Name (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoic acid
Synonyms CHEBI:306718
InChi InChI=1S/C33H46N6O10/c1-18(2)13-24(30(45)38-26(17-40)33(48)49)37-31(46)25(15-20-7-5-4-6-8-20)36-27(43)16-35-32(47)28(19(3)41)39-29(44)23(34)14-21-9-11-22(42)12-10-21/h4-12,18-19,23-26,28,40-42H,13-17,34H2,1-3H3,(H,35,47)(H,36,43)(H,37,46)(H,38,45)(H,39,44)(H,48,49)/t19-,23+,24+,25+,26+,28-/m1/s1
Formula C33H46N6O10 Molecular Weight 686.75
Cross Link CHEMBL125564

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).

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National University of Singapore, Singapore

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