CFam Chemical Families Database
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You are searching for "CFAMM00431900" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00431900
Family CFFBM15040 Atrial natriuretic peptide receptor 1 and Atrial natriuretic peptide receptor 3 ligand (3S)-4-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-2-methylbutyl]amino]-1-oxopentan-2-yl]amino]-3-[[(2S,3S)-3-methyl-2-[[(2S)-2-[[2-[4-(naphthalene-2-carbonylamino)phenyl]acetyl]amino]propanoyl]amino]pentanoyl]amino]-4-oxobutanoic acid family
Superfamily CFSID1104 Integrin beta-3 Inhibitor Lotrafiban Superfamily
Class CFCID325 Class 1675
External ID CHEMBL294263 External Source CHEMBL
PubChem CID 44301646 Functional Category Bioactive
Molecule Name (3S)-4-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-2-methylbutyl]amino]-1-oxopentan-2-yl]amino]-3-[[(2S,3S)-3-methyl-2-[[(2S)-2-[[2-[4-(naphthalene-2-carbonylamino)phenyl]acetyl]amino]propanoyl]amino]pentanoyl]amino]-4-oxobutanoic acid
IUPAC Name (3S)-4-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-2-methylbutyl]amino]-1-oxopentan-2-yl]amino]-3-[[(2S,3S)-3-methyl-2-[[(2S)-2-[[2-[4-(naphthalene-2-carbonylamino)phenyl]acetyl]amino]propanoyl]amino]pentanoyl]amino]-4-oxobutanoic acid
Synonyms CHEBI:191978
InChi InChI=1S/C43H59N9O8/c1-6-25(3)24-47-40(58)33(13-10-20-46-43(44)45)50-41(59)34(23-36(54)55)51-42(60)37(26(4)7-2)52-38(56)27(5)48-35(53)21-28-14-18-32(19-15-28)49-39(57)31-17-16-29-11-8-9-12-30(29)22-31/h8-9,11-12,14-19,22,25-27,33-34,37H,6-7,10,13,20-21,23-24H2,1-5H3,(H,47,58)(H,48,53)(H,49,57)(H,50,59)(H,51,60)(H,52,56)(H,54,55)(H4,44,45,46)/t25-,26-,27-,33-,34-,37-/m0/s1
InChiKey VKNFJABNSMOWGE-BIUJTGHWSA-N
Formula C43H59N9O8 Molecular Weight 829.98
Cross Link CHEMBL294263
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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