CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00177882" in compound.

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CFAM Mol ID CFAMM00177882
Family CFFID65 Flovagatran family
Superfamily CFSID50 Cathepsin B and Cathepsin L1 Binder Superfamily
Class CFCAD610 Class 610
External ID CHEMBL1790879 External Source CHEMBL
PubChem CID 56657838 Functional Category Bioactive
Molecule Name methyl (2S)-2-[[(2S,3R)-2-[[1-[(2R,3S)-3-[[(2S)-4-amino-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoyl]amino]-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
IUPAC Name methyl (2S)-2-[[(2S,3R)-2-[[1-[(2R,3S)-3-[[(2S)-4-amino-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoyl]amino]-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
InChi InChI=1S/C46H69N7O10/c1-9-29(4)39(43(59)51-38(28(2)3)44(60)62-8)52-42(58)35-21-16-24-53(35)27-36(54)33(25-31-19-14-11-15-20-31)48-41(57)34(26-37(47)55)49-40(56)32(50-45(61)63-46(5,6)7)23-22-30-17-12-10-13-18-30/h10-15,17-20,28-29,32-36,38-39,54H,9,16,21-27H2,1-8H3,(H2,47,55)(H,48,57)(H,49,56)(H,50,61)(H,51,59)(H,52,58)/t29-,32+,33+,34+,35?,36-,38+,39+/m1/s1
Formula C46H69N7O10 Molecular Weight 880.08
Cross Link CHEMBL1790879

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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