CHEBI:126797 - N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
ChEBI ID CHEBI:126797
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C35H38N4O4
Net Charge 0
Average Mass 578.702
Monoisotopic Mass 578.28931
InChI InChI=1S/C35H38N4O4/c1-24-20-39(25(2)23-40)35(42)31-19-30(37-34(41)29-15-17-36-18-16-29)13-14-32(31)43-33(24)22-38(3)21-26-9-11-28(12-10-26)27-7-5-4-6-8-27/h4-19,24-25,33,40H,20-23H2,1-3H3,(H,37,41)/t24-,25-,33-/m0/s1
InChIKey HPXQJKADXJMKNX-TZNXZYKKSA-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)C5=CC=CC=C5)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide (CHEBI:126797) is a biphenyls (CHEBI:22888)
Manual Xref Database
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