CHEBI:50662 - marimastat

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ChEBI Name marimastat ChEBI ID CHEBI:50662 Definition A secondary carboxamide resulting from the foraml condensation of the carboxy group of (2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the α-amino group of N,3-dimethyl-L-valinamide. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C15H29N3O5 Net Charge 0 Average Mass 331.40798 Monoisotopic Mass 331.21072 InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1 InChIKey OCSMOTCMPXTDND-OUAUKWLOSA-N SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C Roles Classification Biological Role(s): matrix metalloproteinase inhibitor Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing marimastat (CHEBI:50662) has role antineoplastic agent (CHEBI:35610) marimastat (CHEBI:50662) has role matrix metalloproteinase inhibitor (CHEBI:50664) marimastat (CHEBI:50662) is a hydroxamic acid (CHEBI:24650) marimastat (CHEBI:50662) is a secondary carboxamide (CHEBI:140325) IUPAC Name (2S,3R)-N4-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N1,2-dihydroxy-3-(2-methylpropyl)butanediamide INN Source marimastat KEGG DRUG Manual Xrefs Databases D03795 KEGG DRUG DB00786 DrugBank View more database links Last Modified 07 March 2018