CHEBI:130232 - N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide

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ChEBI Name N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
ChEBI ID CHEBI:130232
Stars This entity has been manually annotated by a third party.
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Formula C31H39N3O5S
Net Charge 0
Average Mass 565.726
Monoisotopic Mass 565.26104
InChI InChI=1S/C31H39N3O5S/c1-22-18-34(23(2)21-35)31(36)17-27-16-28(32-40(4,37)38)14-15-29(27)39-30(22)20-33(3)19-24-10-12-26(13-11-24)25-8-6-5-7-9-25/h5-16,22-23,30,32,35H,17-21H2,1-4H3/t22-,23+,30-/m0/s1
InChIKey XYJNBNRQTGEDGH-BURCIIJTSA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C)O[C@H]1CN(C)CC3=CC=C(C=C3)C4=CC=CC=C4)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide (CHEBI:130232) is a biphenyls (CHEBI:22888)
Manual Xref Database
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