CFam Chemical Families Database
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You are searching for "CFAMM00003485" in compound.

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CFAM Mol ID CFAMM00003485
Family CFFAD18 Vasopressin V2 receptor ligand peptide analog Desmopressin family
Superfamily CFSAD18 Oxytocin receptor and Vasopressin V2 receptor Binder Superfamily
Class CFCAD18 Class 18
External ID CHEMBL338985 External Source CHEMBL
PubChem CID 44351748 Functional Category Bioactive
Molecule Name (2R,5S,8S,17R)-17-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3,6,14,18-tetraoxo-2,5-di(propan-2-yl)-1,4,7,13-tetrazacyclooctadecane-8-carboxamide
IUPAC Name (2R,5S,8S,17R)-17-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3,6,14,18-tetraoxo-2,5-di(propan-2-yl)-1,4,7,13-tetrazacyclooctadecane-8-carboxamide
Synonyms CHEBI:312656
InChi InChI=1S/C41H59N9O9/c1-23(2)34-40(58)47-29(36(43)54)12-8-9-19-44-32(52)18-17-30(38(56)49-35(24(3)4)41(59)50-34)48-39(57)31(21-25-10-6-5-7-11-25)46-33(53)22-45-37(55)28(42)20-26-13-15-27(51)16-14-26/h5-7,10-11,13-16,23-24,28-31,34-35,51H,8-9,12,17-22,42H2,1-4H3,(H2,43,54)(H,44,52)(H,45,55)(H,46,53)(H,47,58)(H,48,57)(H,49,56)(H,50,59)/t28-,29-,30+,31-,34-,35+/m0/s1
InChiKey FYZAGLMEHOJAIB-AVLNBOPFSA-N
Formula C41H59N9O9 Molecular Weight 821.96
Cross Link CHEMBL338985
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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