CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00234953" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00234953
Family CFFID1300 Plasmepsin-1 Inhibitor SC-5003 Family
Superfamily CFSAD716 Bacterial outer membrane Inhibitor Polymyxin B Superfamily
Class CFCAD607 Class 607
External ID CHEMBL199027 External Source CHEMBL
PubChem CID 6482448 Functional Category Bioactive
Molecule Name AC1O5DLU
IUPAC Name (2S)-2-[[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]amino]-3-(1,3-dithian-2-yl)propanoyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetic acid
Synonyms P2 side-chain modified alpha-ketoamide inhibitor 16;(2S)-2-[[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]amino]-3-(1,3-dithian-2-yl)propanoyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetic acid;Benzeneacetic acid, a-[[(9S,12S)-12-cyclohexyl-9-(1,3-dithian-2-ylmethyl)-17-methyl-1,4,5,8,11,14-hexaoxo-6-propyl-15-oxa-3,7,10,13-tetraazaoctadec-1-yl]amino]-, (aS)-
InChi InChI=1S/C36H53N5O9S2/c1-4-12-25(31(43)34(46)37-20-27(42)40-30(35(47)48)24-15-9-6-10-16-24)38-32(44)26(19-28-51-17-11-18-52-28)39-33(45)29(23-13-7-5-8-14-23)41-36(49)50-21-22(2)3/h6,9-10,15-16,22-23,25-26,28-30H,4-5,7-8,11-14,17-21H2,1-3H3,(H,37,46)(H,38,44)(H,39,45)(H,40,42)(H,41,49)(H,47,48)/t25?,26-,29-,30-/m0/s1
Formula C36H53N5O9S2 Molecular Weight 763.96
Cross Link CHEMBL199027

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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