CHEBI:128431 - N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
ChEBI ID CHEBI:128431
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C33H41N3O5
Net Charge 0
Average Mass 559.697
Monoisotopic Mass 559.30462
InChI InChI=1S/C33H41N3O5/c1-23-19-36(24(2)22-37)33(39)18-27-17-28(34-32(38)16-25-8-6-5-7-9-25)12-15-30(27)41-31(23)21-35(3)20-26-10-13-29(40-4)14-11-26/h5-15,17,23-24,31,37H,16,18-22H2,1-4H3,(H,34,38)/t23-,24+,31-/m0/s1
InChIKey FCJPELNAJUOLHS-JLELKNTQSA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)OC)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide (CHEBI:128431) is a acetamides (CHEBI:22160)
Manual Xref Database
LSM-39986 LINCS
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