CHEBI:111560 - 1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea

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ChEBI Name 1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea ChEBI ID CHEBI:111560 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H38N4O4 Net Charge 0 Average Mass 482.616 Monoisotopic Mass 482.28931 InChI InChI=1S/C27H38N4O4/c1-18(2)28-27(34)29-23-13-9-12-22-25(23)35-24(16-30(5)15-21-10-7-6-8-11-21)19(3)14-31(26(22)33)20(4)17-32/h6-13,18-20,24,32H,14-17H2,1-5H3,(H2,28,29,34)/t19-,20+,24+/m1/s1 InChIKey NCIZYGIVVKAPIW-NMMYMHLASA-N SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC(C)C)O[C@H]1CN(C)CC3=CC=CC=C3)[C@@H](C)CO Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing 1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea (CHEBI:111560) is a aromatic amine (CHEBI:33860) Manual Xref Database LSM-22974 LINCS View more database links