CFam Chemical Families Database
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You are searching for "CFAMM00004456" in compound.

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CFAM Mol ID CFAMM00004456
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 CHEMBL413249 External Source CHEMBL
PubChem CID 44386247 Functional Category Bioactive
Molecule Name (4R,7S,10R,13S,16R)-7-(2-amino-2-oxoethyl)-N-[2-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-N-methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
IUPAC Name (4R,7S,10R,13S,16R)-7-(2-amino-2-oxoethyl)-N-[2-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-N-methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Synonyms CHEBI:393518
InChi InChI=1S/C44H62N14O12S2/c1-58(22-37(64)52-27(8-5-16-50-44(48)49)38(65)51-21-35(47)62)43(70)32-23-72-71-17-15-36(63)53-29(19-25-9-11-26(59)12-10-25)40(67)55-30(18-24-6-3-2-4-7-24)41(68)54-28(13-14-33(45)60)39(66)56-31(20-34(46)61)42(69)57-32/h2-4,6-7,9-12,27-32,59H,5,8,13-23H2,1H3,(H2,45,60)(H2,46,61)(H2,47,62)(H,51,65)(H,52,64)(H,53,63)(H,54,68)(H,55,67)(H,56,66)(H,57,69)(H4,48,49,50)/t27-,28-,29-,30+,31+,32+/m1/s1
InChiKey MBEFURHAFPYULD-OXAAXGNVSA-N
Formula C44H62N14O12S2 Molecular Weight 1043.18
Cross Link CHEMBL413249
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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National University of Singapore, Singapore


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