CFam Chemical Families Database
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You are searching for "CFAMM00176441" in compound.

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CFAM Mol ID CFAMM00176441
Family CFFID58 72 kDa type IV collagenase Inhibitor Batimastat Family
Superfamily CFSID43 72 kDa type IV collagenase Inhibitor Batimastat Superfamily
Class CFCID26 Class 1376
External ID CHEMBL262177 External Source CHEMBL
PubChem CID 44417118 Functional Category Bioactive
Molecule Name (2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-5-aminopentanoyl]-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]amino]-5-methyl-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
IUPAC Name (2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-5-aminopentanoyl]-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]amino]-5-methyl-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
Synonyms CHEBI:459958
InChi InChI=1S/C48H62N8O7S/c1-30(2)22-23-36(44(59)55-40(28-34-29-64-42-21-11-10-18-35(34)42)46(61)54-38(43(50)58)26-32-14-6-4-7-15-32)52-47(62)41-20-13-25-56(41)48(63)37(19-12-24-49)53-45(60)39(51-31(3)57)27-33-16-8-5-9-17-33/h4-11,14-18,21,29-30,36-41H,12-13,19-20,22-28,49H2,1-3H3,(H2,50,58)(H,51,57)(H,52,62)(H,53,60)(H,54,61)(H,55,59)/t36-,37+,38-,39+,40-,41+/m1/s1
Formula C48H62N8O7S Molecular Weight 895.12
Cross Link CHEMBL262177

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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