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CHEBI:113808 - 1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea

ChEBI IDCHEBI:113808
ChEBI Name1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
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FormulaC28H34N4O4
Net Charge0
Average Mass490.604
Monoisotopic Mass490.25801
SMILESCNC[C@H]1Oc2ccc(NC(=O)Nc3cccc4ccccc34)cc2CC(=O)N([C@H](C)CO)C[C@@H]1C
InChIInChI=1S/C28H34N4O4/c1-18-16-32(19(2)17-33)27(34)14-21-13-22(11-12-25(21)36-26(18)15-29-3)30-28(35)31-24-10-6-8-20-7-4-5-9-23(20)24/h4-13,18-19,26,29,33H,14-17H2,1-3H3,(H2,30,31,35)/t18-,19+,26+/m0/s1
InChIKeyKOOMWTSRVMNQAA-GNBJCERTSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea (CHEBI:113808) is a naphthalenes (CHEBI:25477)
Manual XrefsDatabases
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