CHEBI:124610 - 4-(dimethylamino)-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(dimethylamino)-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
ChEBI ID CHEBI:124610
Stars This entity has been manually annotated by a third party.
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Formula C36H48N4O5
Net Charge 0
Average Mass 616.791
Monoisotopic Mass 616.36247
InChI InChI=1S/C36H48N4O5/c1-26-22-40(27(2)25-41)36(43)21-29-20-30(37-35(42)12-9-19-38(3)4)15-18-33(29)45-34(26)24-39(5)23-28-13-16-32(17-14-28)44-31-10-7-6-8-11-31/h6-8,10-11,13-18,20,26-27,34,41H,9,12,19,21-25H2,1-5H3,(H,37,42)/t26-,27-,34+/m0/s1
InChIKey PSLIAFXEJSBFAE-IYKVEEHISA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@@H]1CN(C)CC3=CC=C(C=C3)OC4=CC=CC=C4)[C@@H](C)CO
ChEBI Ontology
Outgoing 4-(dimethylamino)-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide (CHEBI:124610) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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