CHEBI:114069 - N-[[(2R,3S)-8-(3-cyclopentylprop-1-ynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-(dimethylamino)-N-methylacetamide

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ChEBI Name N-[[(2R,3S)-8-(3-cyclopentylprop-1-ynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-(dimethylamino)-N-methylacetamide
ChEBI ID CHEBI:114069
Stars This entity has been manually annotated by a third party.
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Formula C27H40N4O4
Net Charge 0
Average Mass 484.632
Monoisotopic Mass 484.30496
InChI InChI=1S/C27H40N4O4/c1-19-15-31(20(2)18-32)27(34)23-13-22(12-8-11-21-9-6-7-10-21)14-28-26(23)35-24(19)16-30(5)25(33)17-29(3)4/h13-14,19-21,24,32H,6-7,9-11,15-18H2,1-5H3/t19-,20-,24-/m0/s1
InChIKey IGZSDNHYZBOXGY-SKPFHBQLSA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCC3CCCC3)O[C@H]1CN(C)C(=O)CN(C)C)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(2R,3S)-8-(3-cyclopentylprop-1-ynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-(dimethylamino)-N-methylacetamide (CHEBI:114069) has functional parent α-amino acid (CHEBI:33704)
N-[[(2R,3S)-8-(3-cyclopentylprop-1-ynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-(dimethylamino)-N-methylacetamide (CHEBI:114069) is a organonitrogen compound (CHEBI:35352)
N-[[(2R,3S)-8-(3-cyclopentylprop-1-ynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-(dimethylamino)-N-methylacetamide (CHEBI:114069) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
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