CHEBI:39488 - JMV 390-1

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ChEBI Name JMV 390-1
ChEBI ID CHEBI:39488
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H35N3O6
Net Charge 0
Average Mass 449.54062
Monoisotopic Mass 449.25259
InChI InChI=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
InChIKey MWZOULASPWUGJJ-PHXBYCTMSA-N
SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): non-narcotic analgesic
A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
protease inhibitor
A compound which inhibits or antagonizes the biosynthesis or actions of proteases (endopeptidases).
Application(s): non-narcotic analgesic
A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
N-(3-((Hydroxyamino)carbonyl)-2-benzyl-1-oxoprolyl)-L-isoleucine-L-leucine ChemIDplus
N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE PDBeChem
Manual Xref Database
002 PDBeChem
View more database links
Registry Number Type Source
148473-36-3 CAS Registry Number ChemIDplus
Last Modified
16 May 2008