CFam Chemical Families Database
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You are searching for "CFAMM00039550" 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.

Search Results

CFAM Mol ID CFAMM00039550
Family CFFAD224 Oxytocin receptor Ligand Oxytocin Family
Superfamily CFSAD18 Oxytocin receptor and Vasopressin V2 receptor Binder Superfamily
Class CFCAD18 Class 18
External ID DNC000771 External Source TTD
PubChem CID 3035055 Functional Category Investigative Drug
Molecule Name ICI 154129
IUPAC Name (2S)-2-[[(2S)-2-[2-[[2-[[(2S)-2-[bis(prop-2-enyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]ethylsulfanyl]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
Synonyms ICI-154129;N,N-Bis(allyl)-tyr-gly-gly-psi-methylthio-phe-leu;M 154,129;M-154,129;N,N-Bis(allyl)-tyrosyl-glycyl-glycyl-psi-methylthio-phenylalanyl-leucine;Glycinamide, N,N-di-2-propenyl-L-tyrosyl-N-(2-((2-((1-carboxy-3-methylbutyl)amino)-2-oxo-1-(phenylmethyl)ethyl)thio)ethyl)-, (S-(R*,R*))-;L-Leucine, N,N-di-2-propenyl-L-tyrosylglycyl-(alphaS)-alpha-((2-aminoethyl)thio)benzenepropanoyl-;N,N-Di-2-propenyl-L-tyrosylglycyl-(alphaS)-alpha-((2-aminoethyl)thio)benzenepropanoyl-L-leucine;AC1MHYOD;SureCN4405821
InChi InChI=1S/C34H46N4O6S/c1-5-17-38(18-6-2)29(21-26-12-14-27(39)15-13-26)32(41)36-23-31(40)35-16-19-45-30(22-25-10-8-7-9-11-25)33(42)37-28(34(43)44)20-24(3)4/h5-15,24,28-30,39H,1-2,16-23H2,3-4H3,(H,35,40)(H,36,41)(H,37,42)(H,43,44)/t28-,29-,30-/m0/s1
InChiKey CZRZYRKTYLLLRL-DTXPUJKBSA-N
Formula C34H46N4O6S Molecular Weight 638.82
Cross Link
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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