CHEBI:124240 - N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide

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ChEBI Name N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
ChEBI ID CHEBI:124240
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C34H37N5O5
Net Charge 0
Average Mass 595.689
Monoisotopic Mass 595.27947
InChI InChI=1S/C34H37N5O5/c1-23-19-39(24(2)22-40)34(42)28-10-7-11-29(37-33(41)30-18-35-16-17-36-30)32(28)44-31(23)21-38(3)20-25-12-14-27(15-13-25)43-26-8-5-4-6-9-26/h4-18,23-24,31,40H,19-22H2,1-3H3,(H,37,41)/t23-,24-,31+/m1/s1
InChIKey GERLECOIYRNVRK-GQIGMWPISA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)OC5=CC=CC=C5)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide (CHEBI:124240) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-35682 LINCS
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