CFam Chemical Families Database
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You are searching for "CFAMM00165982" in compound.

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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
 

 

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Professor in Department of Pharmacy
National University of Singapore, Singapore


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