CFam Chemical Families Database
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You are searching for "CFAMM00178176" in compound.

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CFAM Mol ID CFAMM00178176
Family CFFID65 Flovagatran family
Superfamily CFSID50 Cathepsin B and Cathepsin L1 Binder Superfamily
Class CFCAD610 Class 610
External ID CHEMBL99211 External Source CHEMBL
PubChem CID 454297 Functional Category Bioactive
Molecule Name AC1L9RJF
IUPAC Name benzyl N-[(2S)-4-amino-1-[[(2S,3R)-4-[tert-butylcarbamoyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
Synonyms (Hydroxyethyl)urea Isostere deriv. 9;benzyl N-[(2S)-4-amino-1-[[(2S,3R)-4-[tert-butylcarbamoyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate;N-tert-Butyl-N'-isobutyl-N'-[2(R)-hydroxy-4-phenyl-3(S)-[4-amino-1,4-dioxo-2(S)-[(benzyloxycarbonyl)amino]butylamino]butyl]urea
InChi InChI=1S/C31H45N5O6/c1-21(2)18-36(29(40)35-31(3,4)5)19-26(37)24(16-22-12-8-6-9-13-22)33-28(39)25(17-27(32)38)34-30(41)42-20-23-14-10-7-11-15-23/h6-15,21,24-26,37H,16-20H2,1-5H3,(H2,32,38)(H,33,39)(H,34,41)(H,35,40)/t24-,25-,26+/m0/s1
Formula C31H45N5O6 Molecular Weight 583.72
Cross Link CHEMBL99211

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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