CHEBI:114124 - N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-[2-(3-methoxyphenyl)ethynyl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-oxanecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-[2-(3-methoxyphenyl)ethynyl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-oxanecarboxamide
ChEBI ID CHEBI:114124
Stars This entity has been manually annotated by a third party.
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Formula C30H37N3O6
Net Charge 0
Average Mass 535.632
Monoisotopic Mass 535.26824
InChI InChI=1S/C30H37N3O6/c1-20-17-33(21(2)19-34)30(36)26-15-23(9-8-22-6-5-7-25(14-22)37-4)16-31-28(26)39-27(20)18-32(3)29(35)24-10-12-38-13-11-24/h5-7,14-16,20-21,24,27,34H,10-13,17-19H2,1-4H3/t20-,21+,27-/m1/s1
InChIKey QMNGWUQFDFUPIZ-PBDKAQRYSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC(=CC=C3)OC)O[C@@H]1CN(C)C(=O)C4CCOCC4)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-[2-(3-methoxyphenyl)ethynyl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-oxanecarboxamide (CHEBI:114124) is a methoxybenzenes (CHEBI:51683)
Manual Xref Database
LSM-25556 LINCS
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