CFam Chemical Families Database
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You are searching for "CFAMM00381273" in compound.

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CFAM Mol ID CFAMM00381273
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 CHEMBL170718 External Source CHEMBL
PubChem CID 44383169 Functional Category Bioactive
Molecule Name methyl 2-[[2,2-difluoro-4-[[(2S)-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-oxo-5-phenylpentanoyl]amino]acetate
IUPAC Name methyl 2-[[2,2-difluoro-4-[[(2S)-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-oxo-5-phenylpentanoyl]amino]acetate
Synonyms CHEBI:386439
InChi InChI=1S/C29H40F2N4O8/c1-17(2)22(34-27(41)43-28(3,4)5)25(39)35-14-10-13-20(35)24(38)33-19(15-18-11-8-7-9-12-18)23(37)29(30,31)26(40)32-16-21(36)42-6/h7-9,11-12,17,19-20,22H,10,13-16H2,1-6H3,(H,32,40)(H,33,38)(H,34,41)/t19?,20-,22-/m0/s1
Formula C29H40F2N4O8 Molecular Weight 610.65
Cross Link CHEMBL170718

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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