CHEBI:113814 - N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide

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ChEBI Name N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide
ChEBI ID CHEBI:113814
Stars This entity has been manually annotated by a third party.
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Formula C31H43N3O4
Net Charge 0
Average Mass 521.692
Monoisotopic Mass 521.32536
InChI InChI=1S/C31H43N3O4/c1-22-18-34(23(2)21-35)31(37)27-17-26(32-30(36)16-24-10-6-4-7-11-24)14-15-28(27)38-29(22)20-33(3)19-25-12-8-5-9-13-25/h4,6-7,10-11,14-15,17,22-23,25,29,35H,5,8-9,12-13,16,18-21H2,1-3H3,(H,32,36)/t22-,23-,29-/m0/s1
InChIKey WNQBBBBVHQGMNA-BOSRLCDASA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@H]1CN(C)CC4CCCCC4)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide (CHEBI:113814) is a acetamides (CHEBI:22160)
Manual Xref Database
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