CFam Chemical Families Database
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You are searching for "CFAMM00235096" in compound.

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CFAM Mol ID CFAMM00235096
Family CFFID1300 Plasmepsin-1 Inhibitor SC-5003 Family
Superfamily CFSAD716 Bacterial outer membrane Inhibitor Polymyxin B Superfamily
Class CFCAD607 Class 607
External ID CHEMBL428854 External Source CHEMBL
PubChem CID 44459114 Functional Category Bioactive
Molecule Name AGN-PC-037TW8
IUPAC Name methyl 2-[[2-[[2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoate
Synonyms CHEBI:130546;methyl(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(3s)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoate;AR-1J6348;methyl (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoate
InChi InChI=1S/C40H54N4O7/c1-7-27(2)35(37(47)42-33(38(48)50-6)25-30-21-15-10-16-22-30)44-36(46)32(24-29-19-13-9-14-20-29)41-26-34(45)31(23-28-17-11-8-12-18-28)43-39(49)51-40(3,4)5/h8-22,27,31-35,41,45H,7,23-26H2,1-6H3,(H,42,47)(H,43,49)(H,44,46)
Formula C40H54N4O7 Molecular Weight 702.88
Cross Link CHEMBL428854

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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