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CHEBI:124291 - N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

ChEBI IDCHEBI:124291
ChEBI NameN-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
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DownloadsMolfile
FormulaC33H39N3O5
Net Charge0
Average Mass557.691
Monoisotopic Mass557.28897
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)C3CC3)cc2C1=O
InChIInChI=1S/C33H39N3O5/c1-22-18-36(23(2)21-37)33(39)29-17-26(34-32(38)25-11-12-25)13-16-30(29)41-31(22)20-35(3)19-24-9-14-28(15-10-24)40-27-7-5-4-6-8-27/h4-10,13-17,22-23,25,31,37H,11-12,18-21H2,1-3H3,(H,34,38)/t22-,23+,31-/m0/s1
InChIKeyRTXFVRNHBHIUDV-LWPQGVMLSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide (CHEBI:124291) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-35733LINCS