CHEBI:108769 - N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide

ChEBI IDCHEBI:108769
ChEBI NameN-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide
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FormulaC20H29N3O4
Net Charge0
Average Mass375.469
Monoisotopic Mass375.21581
SMILESCNC[C@H]1Oc2c(NC(=O)C3CC3)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChIInChI=1S/C20H29N3O4/c1-12-10-23(13(2)11-24)20(26)15-5-4-6-16(22-19(25)14-7-8-14)18(15)27-17(12)9-21-3/h4-6,12-14,17,21,24H,7-11H2,1-3H3,(H,22,25)/t12-,13+,17-/m1/s1
InChIKeyCOTDYGDWXSSLGS-IIYDPXPESA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide (CHEBI:108769) is a aromatic amide (CHEBI:62733)
Manual XrefsDatabases
LSM-20168LINCS