CFam Chemical Families Database
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You are searching for "CFAMM00103145" in compound.

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CFAM Mol ID CFAMM00103145
Family CFFAD806 Renin Inhibitor Remikiren Family
Superfamily CFSAD449 Insulin-degrading enzyme inhibitor Bacitracin, Renin inhibitor Remikiren Superfamily
Class CFCAD414 Class 414
External ID CHEMBL300724 External Source CHEMBL
PubChem CID 13891130 Functional Category Bioactive
Molecule Name tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1-cyclohexyl-5-ethylsulfonyl-3-hydroxypentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
IUPAC Name tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1-cyclohexyl-5-ethylsulfonyl-3-hydroxypentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Synonyms CHEBI:172538
InChi InChI=1S/C33H51N5O7S/c1-5-46(43,44)17-16-29(39)26(18-23-12-8-6-9-13-23)36-31(41)28(20-25-21-34-22-35-25)37-30(40)27(19-24-14-10-7-11-15-24)38-32(42)45-33(2,3)4/h7,10-11,14-15,21-23,26-29,39H,5-6,8-9,12-13,16-20H2,1-4H3,(H,34,35)(H,36,41)(H,37,40)(H,38,42)/t26-,27-,28-,29-/m0/s1
Formula C33H51N5O7S Molecular Weight 661.85
Cross Link CHEMBL300724

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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