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CHEBI:39488 - JMV 390-1

ChEBI IDCHEBI:39488
ChEBI NameJMV 390-1
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC23H35N3O6
Net Charge0
Average Mass449.548
Monoisotopic Mass449.25259
SMILESCC[C@@H](C)[C@@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C23H35N3O6/c1-5-15(4)20(22(29)24-18(23(30)31)11-14(2)3)25-21(28)17(13-19(27)26-32)12-16-9-7-6-8-10-16/h6-10,14-15,17-18,20,32H,5,11-13H2,1-4H3,(H,24,29)(H,25,28)(H,26,27)(H,30,31)/t15-,17-,18+,20-/m1/s1
InChIKeyMWZOULASPWUGJJ-PHXBYCTMSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
protease inhibitor  A compound which inhibits or antagonizes the biosynthesis or actions of proteases (endopeptidases).
non-narcotic analgesic  A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
Application:
non-narcotic analgesic  A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
ChEBI Ontology
Outgoing Relation(s)
JMV 390-1 (CHEBI:39488) has role non-narcotic analgesic (CHEBI:35481)
JMV 390-1 (CHEBI:39488) has role protease inhibitor (CHEBI:37670)
JMV 390-1 (CHEBI:39488) is a dipeptide (CHEBI:46761)
IUPAC Name 
N-[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-L-isoleucyl-L-leucine
Synonyms  Source
N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINEPDBeChem
N-(3-((Hydroxyamino)carbonyl)-2-benzyl-1-oxoprolyl)-L-isoleucine-L-leucineChemIDplus
Manual XrefsDatabases
002PDBeChem
Registry NumbersSources
CAS:148473-36-3ChemIDplus