CHEBI:127987 - N-[(2S,3R)-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]-3-(4-morpholinyl)propanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3R)-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]-3-(4-morpholinyl)propanamide
ChEBI ID CHEBI:127987
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C36H46N4O5
Net Charge 0
Average Mass 614.776
Monoisotopic Mass 614.34682
InChI InChI=1S/C36H46N4O5/c1-26-22-40(27(2)25-41)36(43)32-21-31(37-35(42)15-16-39-17-19-44-20-18-39)13-14-33(32)45-34(26)24-38(3)23-28-9-11-30(12-10-28)29-7-5-4-6-8-29/h4-14,21,26-27,34,41H,15-20,22-25H2,1-3H3,(H,37,42)/t26-,27+,34-/m1/s1
InChIKey BPRBOEBHCISTIC-HKQNKLGGSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)CC4=CC=C(C=C4)C5=CC=CC=C5)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3R)-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]-3-(4-morpholinyl)propanamide (CHEBI:127987) is a biphenyls (CHEBI:22888)
Manual Xref Database
LSM-39543 LINCS
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