CHEBI:102819 - 2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]-N-(4-phenylphenyl)acetamide

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ChEBI Name 2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]-N-(4-phenylphenyl)acetamide
ChEBI ID CHEBI:102819
Stars This entity has been manually annotated by a third party.
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Formula C27H29N3O4
Net Charge 0
Average Mass 459.538
Monoisotopic Mass 459.21581
InChI InChI=1S/C27H29N3O4/c31-18-25-24(30-26(32)15-19-5-4-14-28-17-19)13-12-23(34-25)16-27(33)29-22-10-8-21(9-11-22)20-6-2-1-3-7-20/h1-11,14,17,23-25,31H,12-13,15-16,18H2,(H,29,33)(H,30,32)/t23-,24-,25-/m0/s1
InChIKey JZSLTRUJUOZFGD-SDHOMARFSA-N
SMILES C1C[C@@H]([C@@H](O[C@@H]1CC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)CO)NC(=O)CC4=CN=CC=C4
ChEBI Ontology
Outgoing 2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]-N-(4-phenylphenyl)acetamide (CHEBI:102819) is a biphenyls (CHEBI:22888)
Manual Xref Database
LSM-14165 LINCS
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