CFam Chemical Families Database
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You are searching for "CFAMM00471668" in compound.

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CFAM Mol ID CFAMM00471668
Family CFFBM24786 Beta-secretase 1 inhibitor 3-[[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-2-[[(2S,3S)-3-methyl-2-(oxane-2-carbonylamino)pentanoyl]amino]propanoyl]amino]heptanoyl]amino]-3-methylbutanoyl]amino]methyl]benzoic acid family
Superfamily CFSBM686 Plasmepsin-2 and Plasmepsin-1 Binder Superfamily
Class CFCCD110 Class 923
External ID CHEMBL1791017 External Source CHEMBL
PubChem CID 56657791 Functional Category Bioactive
Molecule Name 3-[[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-2-[[(2S,3S)-3-methyl-2-(oxane-2-carbonylamino)pentanoyl]amino]propanoyl]amino]heptanoyl]amino]-3-methylbutanoyl]amino]methyl]benzoic acid
IUPAC Name 3-[[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-2-[[(2S,3S)-3-methyl-2-(oxane-2-carbonylamino)pentanoyl]amino]propanoyl]amino]heptanoyl]amino]-3-methylbutanoyl]amino]methyl]benzoic acid
Synonyms
InChi InChI=1S/C36H57N5O9/c1-8-22(6)31(41-33(45)28-14-9-10-15-50-28)35(47)38-23(7)32(44)39-26(16-20(2)3)27(42)18-29(43)40-30(21(4)5)34(46)37-19-24-12-11-13-25(17-24)36(48)49/h11-13,17,20-23,26-28,30-31,42H,8-10,14-16,18-19H2,1-7H3,(H,37,46)(H,38,47)(H,39,44)(H,40,43)(H,41,45)(H,48,49)/t22-,23-,26-,27-,28?,30-,31-/m0/s1
InChiKey IRZBKMHNGOEVFB-PRNPKKLGSA-N
Formula C36H57N5O9 Molecular Weight 703.87
Cross Link CHEMBL1791017
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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