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CHEBI:50662 - marimastat

ChEBI IDCHEBI:50662
ChEBI Namemarimastat
Stars
DefinitionA 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.
Last Modified7 March 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC15H29N3O5
Net Charge0
Average Mass331.413
Monoisotopic Mass331.21072
SMILESCNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
InChIInChI=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
InChIKeyOCSMOTCMPXTDND-OUAUKWLOSA-N
Roles Classification
Biological Role:
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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
marimastatKEGG DRUG
Manual XrefsDatabases
D03795KEGG DRUG
DB00786DrugBank