CFam Chemical Families Database
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You are searching for "CFAMM00004564" in compound.

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CFAM Mol ID CFAMM00004564
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 CHEMBL414068 External Source CHEMBL
PubChem CID 44334303 Functional Category Bioactive
Molecule Name (2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[3-(4-hydroxy-2,6-dimethylphenyl)propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]-N-[(2S)-1,6-diamino-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
IUPAC Name (2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[3-(4-hydroxy-2,6-dimethylphenyl)propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]-N-[(2S)-1,6-diamino-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
Synonyms CHEBI:269870
InChi InChI=1S/C75H118N22O14/c1-8-43(4)62(71(110)93-55(23-16-34-86-75(82)83)72(111)97-35-17-24-59(97)70(109)90-52(63(77)102)20-12-13-31-76)96-67(106)54(22-15-33-85-74(80)81)91-66(105)53(21-14-32-84-73(78)79)92-68(107)56(36-42(2)3)95-69(108)58(39-47-18-10-9-11-19-47)94-64(103)46(7)88-61(101)41-87-65(104)57(40-48-25-27-49(98)28-26-48)89-60(100)30-29-51-44(5)37-50(99)38-45(51)6/h9-11,18-19,25-28,37-38,42-43,46,52-59,62,98-99H,8,12-17,20-24,29-36,39-41,76H2,1-7H3,(H2,77,102)(H,87,104)(H,88,101)(H,89,100)(H,90,109)(H,91,105)(H,92,107)(H,93,110)(H,94,103)(H,95,108)(H,96,106)(H4,78,79,84)(H4,80,81,85)(H4,82,83,86)/t43-,46-,52-,53-,54-,55-,56-,57-,58-,59-,62-/m0/s1
InChiKey JWNVVACRXGNHPU-VYIWQZPZSA-N
Formula C75H118N22O14 Molecular Weight 1551.88
Cross Link CHEMBL414068
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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