CHEBI:111824 - N-[(2S,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]cyclopropanecarboxamide

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ChEBI Name N-[(2S,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]cyclopropanecarboxamide
ChEBI ID CHEBI:111824
Stars This entity has been manually annotated by a third party.
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Formula C27H41N3O4
Net Charge 0
Average Mass 471.633
Monoisotopic Mass 471.30971
InChI InChI=1S/C27H41N3O4/c1-18-14-30(19(2)17-31)27(33)23-13-22(28-26(32)21-9-10-21)11-12-24(23)34-25(18)16-29(3)15-20-7-5-4-6-8-20/h11-13,18-21,25,31H,4-10,14-17H2,1-3H3,(H,28,32)/t18-,19-,25+/m0/s1
InChIKey RZKDUVXCVDUJNN-XHNVNVPESA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CC3)O[C@@H]1CN(C)CC4CCCCC4)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,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]cyclopropanecarboxamide (CHEBI:111824) is a aromatic amide (CHEBI:62733)
Manual Xref Database
LSM-23237 LINCS
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