CHEBI:130219 - (2R,3R)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

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ChEBI Name (2R,3R)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
ChEBI ID CHEBI:130219
Stars This entity has been manually annotated by a third party.
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Formula C28H36N4O3
Net Charge 0
Average Mass 476.611
Monoisotopic Mass 476.27874
InChI InChI=1S/C28H36N4O3/c1-20-16-32(21(2)19-33)28(34)25-14-24(9-8-22-10-12-29-13-11-22)15-30-27(25)35-26(20)18-31(3)17-23-6-4-5-7-23/h10-15,20-21,23,26,33H,4-7,16-19H2,1-3H3/t20-,21+,26+/m1/s1
InChIKey NRCNVCSURWCEHF-SWYRRKHMSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC=NC=C3)O[C@H]1CN(C)CC4CCCC4)[C@@H](C)CO
ChEBI Ontology
Outgoing (2R,3R)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:130219) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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