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CHEBI:195398 - batimastat

Default Structure
ChEBI IDCHEBI:195398
ChEBI Namebatimastat
Stars
DefinitionA secondary carboxamide resulting from the formal condensation of the carboxy group of (2S,3R)-5-methyl-3-{[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl}-2-[(thiophen-2-ylsulfanyl)methyl]hexanoic acid with the amino group of hydroxylamine. It a broad-spectrum matrix metalloprotease inhibitor.
Secondary ChEBI IDCHEBI:40976
Last Modified20 July 2023
Submitterjonmuyskens
DownloadsMolfile
FormulaC23H31N3O4S2
Net Charge0
Average Mass477.652
Monoisotopic Mass477.17560
SMILESCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
InChIInChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
InChIKeyXFILPEOLDIKJHX-QYZOEREBSA-N
Wikipedia
Roles Classification
Biological Role:
Applications:
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
batimastat (CHEBI:195398) has role angiogenesis inhibitor (CHEBI:48422)
batimastat (CHEBI:195398) has role antineoplastic agent (CHEBI:35610)
batimastat (CHEBI:195398) has role matrix metalloproteinase inhibitor (CHEBI:50664)
batimastat (CHEBI:195398) is a L-phenylalanine derivative (CHEBI:84144)
batimastat (CHEBI:195398) is a hydroxamic acid (CHEBI:24650)
batimastat (CHEBI:195398) is a organic sulfide (CHEBI:16385)
batimastat (CHEBI:195398) is a secondary carboxamide (CHEBI:140325)
batimastat (CHEBI:195398) is a thiophenes (CHEBI:26961)
batimastat (CHEBI:195398) is a triamide (CHEBI:51954)
IUPAC Name 
(2R,3S)-N4-hydroxy-N1-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)-3-[(thiophen-2-ylsulfanyl)methyl]butanediamide
INNs  Source
batimastatWHO MedNet
batimastatWHO MedNet
batimastatWHO MedNet
batimastatumWHO MedNet
Synonyms  Source
(2R,3S)-N4-hydroxy-N1-[(1S)-2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl]-2-(2-methylpropyl)-3-[(2-thienylthio)methyl]butanediamideChEBI
4-(N-hydroxyamino)-2R-isobutyl-3S-(thiopen-2-ylthiomethyl)-succinyl-L-phenylalanine-N-methylamideChEBI
BB 94ChEBI
BB-94SUBMITTER
BB94DrugBank
Manual XrefsDatabases
4515033ChemSpider
BATPDBeChem
BatimastatWikipedia
CPD-21519MetaCyc
D03061KEGG DRUG
DB03880DrugBank
LSM-6276LINCS
Registry NumbersSources
CAS:130370-60-4DrugBank
Citations