CFam Chemical Families Database
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You are searching for "CFAMM00234965" in compound.

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CFAM Mol ID CFAMM00234965
Family CFFID1300 Plasmepsin-1 Inhibitor SC-5003 Family
Superfamily CFSAD716 Bacterial outer membrane Inhibitor Polymyxin B Superfamily
Class CFCAD607 Class 607
External ID CHEMBL51366 External Source CHEMBL
PubChem CID 455717 Functional Category Bioactive
Molecule Name Aminodiol deriv. 15c
IUPAC Name tert-butyl N-[(2S,3R)-4-[[(2R,3S)-3-(tert-butylsulfanylcarbonylamino)-2-hydroxy-4-phenylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Synonyms AC1L9TFQ;(1S-(1R*,2S*(2S*,3R*)))-[3-[[3-[[[(1,1-Dimethylethyl)thio]carbonyl]amino]-2-hydroxy-4-phenylbutyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid, 1,1-dimethylethylester;tert-butyl N-[(2S,3R)-4-[[(2R,3S)-3-(tert-butylsulfanylcarbonylamino)-2-hydroxy-4-phenylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
InChi InChI=1S/C30H45N3O5S/c1-29(2,3)38-27(36)32-23(17-21-13-9-7-10-14-21)25(34)19-31-20-26(35)24(18-22-15-11-8-12-16-22)33-28(37)39-30(4,5)6/h7-16,23-26,31,34-35H,17-20H2,1-6H3,(H,32,36)(H,33,37)/t23-,24-,25+,26+/m0/s1
Formula C30H45N3O5S Molecular Weight 559.76
Cross Link CHEMBL51366

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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