CFam Chemical Families Database
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You are searching for "CFAMM00108128" in compound.

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CFAM Mol ID CFAMM00108128
Family CFFAD853 Atrial natriuretic peptide receptor 1 Ligand Nesiritide Family
Superfamily CFSAD715 Atrial natriuretic peptide receptor 1 Ligand Nesiritide Superfamily
Class CFCAD645 Class 645
External ID CHEMBL274851 External Source CHEMBL
PubChem CID 44273858 Functional Category Bioactive
Molecule Name (4S)-4-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
IUPAC Name (4S)-4-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Synonyms CHEBI:125234
InChi InChI=1S/C56H79N11O17/c1-29(2)44(53(80)58-28-41(69)66-23-13-19-39(66)51(78)60-36(21-22-42(70)71)49(76)59-31(5)47(74)62-38(56(83)84)26-34-17-11-8-12-18-34)63-50(77)37(27-43(72)73)61-54(81)46(32(6)68)65-52(79)40-20-14-24-67(40)55(82)45(30(3)4)64-48(75)35(57)25-33-15-9-7-10-16-33/h7-12,15-18,29-32,35-40,44-46,68H,13-14,19-28,57H2,1-6H3,(H,58,80)(H,59,76)(H,60,78)(H,61,81)(H,62,74)(H,63,77)(H,64,75)(H,65,79)(H,70,71)(H,72,73)(H,83,84)/t31-,32+,35-,36-,37-,38-,39-,40-,44-,45-,46-/m0/s1
InChiKey AOTBKOSXAWUJRH-WZZBYECKSA-N
Formula C56H79N11O17 Molecular Weight 1178.29
Cross Link CHEMBL274851
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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