CFam Chemical Families Database
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You are searching for "CFAMM00225881" in compound.

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CFAM Mol ID CFAMM00225881
Family CFFID1044 Beta-secretase 1 Inhibitor MMI-175 Family
Superfamily CFSCD52 Puromycin-sensitive aminopeptidase Inhibitor CHR-2797 Superfamily
Class CFCCD46 Class 859
External ID CHEMBL178060 External Source CHEMBL
PubChem CID 44386767 Functional Category Bioactive
Molecule Name methyl (2S)-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-phenylpropanoate
IUPAC Name methyl (2S)-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-phenylpropanoate
Synonyms CHEBI:394689
InChi InChI=1S/C44H61N5O8/c1-29(2)24-35(39(51)48-38(30(3)4)40(52)45-36(41(53)56-8)26-32-20-14-10-15-21-32)46-42(54)49(27-33-22-16-11-17-23-33)28-37(50)34(25-31-18-12-9-13-19-31)47-43(55)57-44(5,6)7/h9-23,29-30,34-38,50H,24-28H2,1-8H3,(H,45,52)(H,46,54)(H,47,55)(H,48,51)/t34-,35-,36-,37+,38-/m0/s1
Formula C44H61N5O8 Molecular Weight 787.98
Cross Link CHEMBL178060

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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