CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00220103" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00220103
Family CFFID855 Cathepsin F and Cruzipain Inhibitor WRR-99 Family
Superfamily CFSID699 Cathepsin F and Cruzipain Inhibitor WRR-99 Superfamily
Class CFCID492 Class 1842
External ID CHEMBL126776 External Source CHEMBL
PubChem CID 10327914 Functional Category Bioactive
Molecule Name (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[3-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methylpentan-2-yl]amino]-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
IUPAC Name (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[3-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methylpentan-2-yl]amino]-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Synonyms CHEBI:311860
InChi InChI=1S/C39H58N8O9/c1-23(2)17-27(21-43-29(35(41)52)18-25-11-7-5-8-12-25)44-32(49)15-16-42-39(56)34(24(3)4)47-37(54)30(19-26-13-9-6-10-14-26)45-38(55)31(22-48)46-36(53)28(40)20-33(50)51/h5-14,23-24,27-31,34,43,48H,15-22,40H2,1-4H3,(H2,41,52)(H,42,56)(H,44,49)(H,45,55)(H,46,53)(H,47,54)(H,50,51)/t27-,28-,29-,30-,31-,34-/m0/s1
Formula C39H58N8O9 Molecular Weight 782.93
Cross Link CHEMBL126776

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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