CFAM Mol ID	CFAMM00165982
Family	CFFCD602 Thymosin Beta-4 family
Superfamily	CFSAD715 Atrial natriuretic peptide receptor 1 Ligand Nesiritide Superfamily
Class	CFCAD645 Class 645
External ID	CHEMBL2347661	External Source	CHEMBL
PubChem CID	71720167	Functional Category	Bioactive
Molecule Name	(3S)-3-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-3-hydroxy-2-[[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
IUPAC Name	(3S)-3-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-3-hydroxy-2-[[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Synonyms
InChi	InChI=1S/C58H81N13O16S/c1-32(2)25-37(50(79)64-35(49(60)78)21-24-88-4)63-47(75)30-61-53(82)44(27-34-15-9-6-10-16-34)69(3)56(85)40(26-33-13-7-5-8-14-33)67-52(81)39(29-48(76)77)65-51(80)38(28-45(59)73)66-54(83)42-17-12-23-71(42)58(87)41(31-72)68-55(84)43-18-11-22-70(43)57(86)36-19-20-46(74)62-36/h5-10,13-16,32,35-44,72H,11-12,17-31H2,1-4H3,(H2,59,73)(H2,60,78)(H,61,82)(H,62,74)(H,63,75)(H,64,79)(H,65,80)(H,66,83)(H,67,81)(H,68,84)(H,76,77)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
InChiKey	FWHDSSJBOVUVRV-BLDAPKAQSA-N
Formula	C58H81N13O16S	Molecular Weight	1248.41
Cross Link	CHEMBL2347661
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

27409 visits since 2014 .........

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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