CHEBI:119711 - N-[[(2S,3S)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-(3-pyridinyl)acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(2S,3S)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-(3-pyridinyl)acetamide
ChEBI ID CHEBI:119711
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H36N4O5
Net Charge 0
Average Mass 520.621
Monoisotopic Mass 520.26857
InChI InChI=1S/C29H36N4O5/c1-20-17-33(21(2)19-34)28(36)24-13-23(8-11-29(37)9-4-5-10-29)16-31-27(24)38-25(20)18-32(3)26(35)14-22-7-6-12-30-15-22/h6-7,12-13,15-16,20-21,25,34,37H,4-5,9-10,14,17-19H2,1-3H3/t20-,21+,25+/m0/s1
InChIKey XZDMLRGMHLQVSQ-BPYKYCOYSA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3(CCCC3)O)O[C@@H]1CN(C)C(=O)CC4=CN=CC=C4)[C@H](C)CO
ChEBI Ontology
Outgoing N-[[(2S,3S)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-(3-pyridinyl)acetamide (CHEBI:119711) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-31156 LINCS
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