CHEBI:127378 - N-[(2R,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-8-yl]-4-pyridinecarboxamide

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ChEBI Name N-[(2R,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-8-yl]-4-pyridinecarboxamide
ChEBI ID CHEBI:127378
Stars This entity has been manually annotated by a third party.
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Formula C29H32Cl2N4O4
Net Charge 0
Average Mass 571.496
Monoisotopic Mass 570.18006
InChI InChI=1S/C29H32Cl2N4O4/c1-18-14-35(19(2)17-36)29(38)23-13-22(33-28(37)21-8-10-32-11-9-21)5-7-26(23)39-27(18)16-34(3)15-20-4-6-24(30)25(31)12-20/h4-13,18-19,27,36H,14-17H2,1-3H3,(H,33,37)/t18-,19-,27+/m1/s1
InChIKey GNLIZSFOCYRQDY-KFDHSVMUSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=NC=C3)O[C@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,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-8-yl]-4-pyridinecarboxamide (CHEBI:127378) is a pyridinecarboxamide (CHEBI:25529)
Manual Xref Database
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