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CHEBI:181397 - 2-(3-(1-(((4E,10E)-2,9-Dioxo-12-isopropyl-1,8-diazacyclododecane-4,10-diene-3-yl)carbamoyl)-2-methylpropyl)ureido)-3-methylbutyric acid

ChEBI IDCHEBI:181397
ChEBI Name2-(3-(1-(((4E,10E)-2,9-Dioxo-12-isopropyl-1,8-diazacyclododecane-4,10-diene-3-yl)carbamoyl)-2-methylpropyl)ureido)-3-methylbutyric acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H39N5O6
Net Charge0
Average Mass493.605
Monoisotopic Mass493.29003
SMILESCC(C)C1/C=C/C(=O)NCC/C=C/C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C(C)C)C(=O)N1
InChIInChI=1S/C24H39N5O6/c1-13(2)16-10-11-18(30)25-12-8-7-9-17(21(31)26-16)27-22(32)19(14(3)4)28-24(35)29-20(15(5)6)23(33)34/h7,9-11,13-17,19-20H,8,12H2,1-6H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34)(H2,28,29,35)/b9-7+,11-10+
InChIKeyRUWSLQOIGKYPEZ-RJECPTDASA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-(3-(1-(((4E,10E)-2,9-Dioxo-12-isopropyl-1,8-diazacyclododecane-4,10-diene-3-yl)carbamoyl)-2-methylpropyl)ureido)-3-methylbutyric acid (CHEBI:181397) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[[1-[[(3E,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoic acid
Manual XrefsDatabases
22378253ChemSpider
C15701KEGG COMPOUND