CHEBI:100106 - N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide

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ChEBI Name N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
ChEBI ID CHEBI:100106
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H30N2O7
Net Charge 0
Average Mass 518.559
Monoisotopic Mass 518.20530
InChI InChI=1S/C29H30N2O7/c32-17-27-24(31-29(34)20-8-13-25-26(14-20)36-18-35-25)12-11-23(38-27)15-28(33)30-16-19-6-9-22(10-7-19)37-21-4-2-1-3-5-21/h1-10,13-14,23-24,27,32H,11-12,15-18H2,(H,30,33)(H,31,34)/t23-,24+,27+/m1/s1
InChIKey IKYPBPDRSBKALY-DXBVXKBHSA-N
SMILES C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)CO)NC(=O)C4=CC5=C(C=C4)OCO5
ChEBI Ontology
Outgoing N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide (CHEBI:100106) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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