CFam Chemical Families Database
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You are searching for "CFAMM00381274" in compound.

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CFAM Mol ID CFAMM00381274
Family CFFBM7561 Renin and Cathepsin D inhibitor tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-cyclohexyl-4,4-difluoro-5-(2-morpholin-4-ylethylamino)-3,5-dioxopentan-2-yl]amino]-1-oxopent-4-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate family
Superfamily CFSAD673 Prothrombin Inhibitor Ximelagatran Superfamily
Class CFCAD608 Class 608
External ID CHEMBL368262 External Source CHEMBL
PubChem CID 44383625 Functional Category Bioactive
Molecule Name 1-[2,2-difluoro-4-[[(2S)-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-oxo-5-phenylpentanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name 1-[2,2-difluoro-4-[[(2S)-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-oxo-5-phenylpentanoyl]pyrrolidine-2-carboxylic acid
Synonyms CHEBI:387399
InChi InChI=1S/C31H42F2N4O8/c1-18(2)23(35-29(44)45-30(3,4)5)26(40)36-15-9-13-21(36)25(39)34-20(17-19-11-7-6-8-12-19)24(38)31(32,33)28(43)37-16-10-14-22(37)27(41)42/h6-8,11-12,18,20-23H,9-10,13-17H2,1-5H3,(H,34,39)(H,35,44)(H,41,42)/t20?,21-,22?,23-/m0/s1
Formula C31H42F2N4O8 Molecular Weight 636.68
Cross Link CHEMBL368262

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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