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CHEBI:113726 - 1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea

ChEBI IDCHEBI:113726
ChEBI Name1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea
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FormulaC24H32N4O4
Net Charge0
Average Mass440.544
Monoisotopic Mass440.24236
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O
InChIInChI=1S/C24H32N4O4/c1-16-13-28(17(2)15-29)23(30)19-11-8-12-20(22(19)32-21(16)14-27(3)4)26-24(31)25-18-9-6-5-7-10-18/h5-12,16-17,21,29H,13-15H2,1-4H3,(H2,25,26,31)/t16-,17+,21+/m0/s1
InChIKeySSJJWSMGDNAKCS-CSODHUTKSA-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-10-yl]-3-phenylurea (CHEBI:113726) is a ureas (CHEBI:47857)
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