CHEBI:123755 - N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
ChEBI ID CHEBI:123755
Stars This entity has been manually annotated by a third party.
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Formula C28H38N4O5
Net Charge 0
Average Mass 510.626
Monoisotopic Mass 510.28422
InChI InChI=1S/C28H38N4O5/c1-19-15-32(20(2)18-33)28(35)23-5-4-6-24(30-27(34)22-9-13-36-14-10-22)26(23)37-25(19)17-31(3)16-21-7-11-29-12-8-21/h4-8,11-12,19-20,22,25,33H,9-10,13-18H2,1-3H3,(H,30,34)/t19-,20-,25-/m1/s1
InChIKey WRJNAKNVXDMTDS-UMEGOILYSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3CCOCC3)O[C@@H]1CN(C)CC4=CC=NC=C4)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide (CHEBI:123755) is a aromatic amide (CHEBI:62733)
Manual Xref Database
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