CHEBI:106105 - 2-(dimethylamino)-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(dimethylamino)-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide
ChEBI ID CHEBI:106105
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H33N5O4
Net Charge 0
Average Mass 479.572
Monoisotopic Mass 479.25325
InChI InChI=1S/C26H33N5O4/c1-18-14-31(19(2)17-32)26(34)22-11-21(9-8-20-7-6-10-27-12-20)13-28-25(22)35-23(18)15-30(5)24(33)16-29(3)4/h6-7,10-13,18-19,23,32H,14-17H2,1-5H3/t18-,19-,23-/m1/s1
InChIKey ATGVLJGFQJXEPR-DNVFCKCGSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CN=CC=C3)O[C@@H]1CN(C)C(=O)CN(C)C)[C@H](C)CO
ChEBI Ontology
Outgoing 2-(dimethylamino)-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide (CHEBI:106105) has functional parent α-amino acid (CHEBI:33704)
2-(dimethylamino)-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide (CHEBI:106105) is a organonitrogen compound (CHEBI:35352)
2-(dimethylamino)-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide (CHEBI:106105) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
LSM-17466 LINCS
View more database links