CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00091294" 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 CFAMM00091294
Family CFFAD646 Angiotensin-converting enzyme inhibitor Dicarboxylate-containing Cilazapril Family
Superfamily CFSAD369 Angiotensin-converting enzyme inhibitor Enalapril Fosinopril Cilazapril Spirapril Superfamily
Class CFCAD347 Class 347
External ID CHEMBL1791331 External Source CHEMBL
PubChem CID 56668047 Functional Category Bioactive
Molecule Name (2S)-2-[[(2R)-2-[[16-[[(2S,3S)-1-[[(2R,3S)-1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-16-oxohexadecanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid
IUPAC Name (2S)-2-[[(2R)-2-[[16-[[(2S,3S)-1-[[(2R,3S)-1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-methylamino]-16-oxohexadecanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid
InChi InChI=1S/C44H74N6O10/c1-7-30(4)38(42(57)47-34(28-51)40(45)55)49-43(58)39(31(5)52)50(6)36(54)26-22-17-15-13-11-9-8-10-12-14-16-21-25-35(53)48-37(29(2)3)41(56)46-33(44(59)60)27-32-23-19-18-20-24-32/h18-20,23-24,29-31,33-34,37-39,51-52H,7-17,21-22,25-28H2,1-6H3,(H2,45,55)(H,46,56)(H,47,57)(H,48,53)(H,49,58)(H,59,60)/t30-,31-,33-,34?,37+,38+,39-/m0/s1
Formula C44H74N6O10 Molecular Weight 847.09
Cross Link CHEMBL1791331

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).

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