CFam Chemical Families Database
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You are searching for "CFAMM00108699" in compound.

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CFAM Mol ID CFAMM00108699
Family CFFAD856 Bacterial outer membrane Inhibitor Daptomycin Family
Superfamily CFSAD718 Bacterial outer membrane Inhibitor Daptomycin Superfamily
Class CFCAD647 Class 647
External ID CHEMBL1790866 External Source CHEMBL
PubChem CID 56675124 Functional Category Bioactive
Molecule Name methyl (2S)-2-[[(2S,3R)-2-[[1-[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate
IUPAC Name methyl (2S)-2-[[(2S,3R)-2-[[1-[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate
Synonyms
InChi InChI=1S/C48H69N9O11/c1-7-28(4)42(47(66)55-37(48(67)68-6)22-31-24-50-33-17-12-11-16-32(31)33)56-46(65)39-18-13-19-57(39)25-40(60)34(21-30-14-9-8-10-15-30)52-44(63)36(23-41(49)61)54-43(62)35(20-27(2)3)53-45(64)38(26-58)51-29(5)59/h8-12,14-17,24,27-28,34-40,42,50,58,60H,7,13,18-23,25-26H2,1-6H3,(H2,49,61)(H,51,59)(H,52,63)(H,53,64)(H,54,62)(H,55,66)(H,56,65)/t28-,34+,35+,36+,37+,38+,39?,40-,42+/m1/s1
InChiKey DSMUKWFJDJBLAH-WLKXYXHTSA-N
Formula C48H69N9O11 Molecular Weight 948.12
Cross Link CHEMBL1790866
Structure

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).
 

Last update by

 
2014.08.29
 

 

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National University of Singapore, Singapore


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