CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00225790" in compound.

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CFAM Mol ID CFAMM00225790
Family CFFID1044 Beta-secretase 1 Inhibitor MMI-175 Family
Superfamily CFSCD52 Puromycin-sensitive aminopeptidase Inhibitor CHR-2797 Superfamily
Class CFCCD46 Class 859
External ID CHEMBL1791282 External Source CHEMBL
PubChem CID 56681654 Functional Category Bioactive
Molecule Name methyl (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[benzyl-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]carbamoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoate
IUPAC Name methyl (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[benzyl-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]carbamoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoate
InChi InChI=1S/C41H63N5O8/c1-11-28(6)35(38(50)53-10)45-37(49)34(27(4)5)44-36(48)32(22-26(2)3)42-39(51)46(24-30-20-16-13-17-21-30)25-33(47)31(23-29-18-14-12-15-19-29)43-40(52)54-41(7,8)9/h12-21,26-28,31-35,47H,11,22-25H2,1-10H3,(H,42,51)(H,43,52)(H,44,48)(H,45,49)/t28-,31+,32+,33-,34+,35+/m1/s1
Formula C41H63N5O8 Molecular Weight 753.97
Cross Link CHEMBL1791282

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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