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CHEBI:123781 - 1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(1-naphthalenyl)urea

ChEBI IDCHEBI:123781
ChEBI Name1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(1-naphthalenyl)urea
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FormulaC28H34N4O4
Net Charge0
Average Mass490.604
Monoisotopic Mass490.25801
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C)Oc2ccc(NC(=O)Nc3cccc4ccccc34)cc2C1=O
InChIInChI=1S/C28H34N4O4/c1-18-15-32(19(2)17-33)27(34)23-14-21(12-13-25(23)36-26(18)16-31(3)4)29-28(35)30-24-11-7-9-20-8-5-6-10-22(20)24/h5-14,18-19,26,33H,15-17H2,1-4H3,(H2,29,30,35)/t18-,19+,26+/m0/s1
InChIKeyINADRKJOEXIRSH-GNBJCERTSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(1-naphthalenyl)urea (CHEBI:123781) is a naphthalenes (CHEBI:25477)
Manual XrefsDatabases
LSM-35223LINCS