CHEBI:94925 - N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide
ChEBI ID CHEBI:94925
Stars This entity has been manually annotated by a third party.
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Formula C27H33Cl2N3O4
Net Charge 0
Average Mass 534.476
Monoisotopic Mass 533.18481
InChI InChI=1S/C27H33Cl2N3O4/c1-16-12-32(17(2)15-33)27(35)20-5-4-6-23(30-26(34)19-8-9-19)25(20)36-24(16)14-31(3)13-18-7-10-21(28)22(29)11-18/h4-7,10-11,16-17,19,24,33H,8-9,12-15H2,1-3H3,(H,30,34)/t16-,17-,24-/m1/s1
InChIKey MNMLFFQUHHOZKL-HOZJOUCCSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3CC3)O[C@@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide (CHEBI:94925) is a dichlorobenzene (CHEBI:23697)
Manual Xref Database
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