CFam Chemical Families Database
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You are searching for "CFAMM00103209" in compound.

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CFAM Mol ID CFAMM00103209
Family CFFAD806 Renin Inhibitor Remikiren Family
Superfamily CFSAD449 Insulin-degrading enzyme inhibitor Bacitracin, Renin inhibitor Remikiren Superfamily
Class CFCAD414 Class 414
External ID CHEMBL346930 External Source CHEMBL
PubChem CID 44373317 Functional Category Bioactive
Molecule Name (2S)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-(butanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
IUPAC Name (2S)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-(butanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
Synonyms CHEBI:364786
InChi InChI=1S/C38H49N11O6S/c1-2-9-33(51)46-30(18-25-19-42-22-45-25)37(55)48-28(16-23-10-4-3-5-11-23)36(54)47-27(13-8-15-43-38(40)41)35(53)49-29(34(52)44-20-32(39)50)17-24-21-56-31-14-7-6-12-26(24)31/h3-7,10-12,14,19,21-22,27-30H,2,8-9,13,15-18,20H2,1H3,(H2,39,50)(H,42,45)(H,44,52)(H,46,51)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,43)/t27-,28-,29+,30-/m0/s1
InChiKey OTSNJPKIYDJHBN-ZXYZSCNASA-N
Formula C38H49N11O6S Molecular Weight 787.93
Cross Link CHEMBL346930
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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