CHEBI:129781 - (2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(propyl)amino]methyl]-8-(3-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

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ChEBI Name (2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(propyl)amino]methyl]-8-(3-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
ChEBI ID CHEBI:129781
Stars This entity has been manually annotated by a third party.
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Formula C23H32N4O3
Net Charge 0
Average Mass 412.526
Monoisotopic Mass 412.24744
InChI InChI=1S/C23H32N4O3/c1-5-9-26(4)14-21-16(2)13-27(17(3)15-28)23(29)20-10-19(12-25-22(20)30-21)18-7-6-8-24-11-18/h6-8,10-12,16-17,21,28H,5,9,13-15H2,1-4H3/t16-,17-,21+/m0/s1
InChIKey BPESNTJMOWBTKP-XGHQBKJUSA-N
SMILES CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(O1)N=CC(=C2)C3=CN=CC=C3)[C@@H](C)CO)C
ChEBI Ontology
Outgoing (2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(propyl)amino]methyl]-8-(3-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:129781) is a bipyridines (CHEBI:50511)
Manual Xref Database
LSM-41332 LINCS
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