CHEBI:109945 - 3-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide
ChEBI ID CHEBI:109945
Stars This entity has been manually annotated by a third party.
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Formula C30H36N4O6S
Net Charge 0
Average Mass 580.697
Monoisotopic Mass 580.23556
InChI InChI=1S/C30H36N4O6S/c1-20-17-34(21(2)19-35)30(37)26-15-24(22-10-9-11-23(14-22)29(36)32(3)4)16-31-28(26)40-27(20)18-33(5)41(38,39)25-12-7-6-8-13-25/h6-16,20-21,27,35H,17-19H2,1-5H3/t20-,21+,27+/m0/s1
InChIKey GYMQUQFWPBAZQS-FYQCMVGJSA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC(=CC=C3)C(=O)N(C)C)O[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4)[C@H](C)CO
ChEBI Ontology
Outgoing 3-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]-N,N-dimethylbenzamide (CHEBI:109945) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-21372 LINCS
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