CHEBI:130693 - 4-[[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
ChEBI ID CHEBI:130693
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H37N3O6
Net Charge 0
Average Mass 559.654
Monoisotopic Mass 559.26824
InChI InChI=1S/C32H37N3O6/c1-21-17-35(22(2)20-36)31(38)27-16-26(33-30(37)15-23-7-5-4-6-8-23)13-14-28(27)41-29(21)19-34(3)18-24-9-11-25(12-10-24)32(39)40/h4-14,16,21-22,29,36H,15,17-20H2,1-3H3,(H,33,37)(H,39,40)/t21-,22+,29+/m0/s1
InChIKey NFIXFXCEHGPRBV-DKGMKSHISA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(=O)O)[C@H](C)CO
ChEBI Ontology
Outgoing 4-[[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid (CHEBI:130693) is a acetamides (CHEBI:22160)
Manual Xref Database
LSM-42242 LINCS
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