CHEBI:109909 - 1-[[(2S,3S)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-phenylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[(2S,3S)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-phenylurea
ChEBI ID CHEBI:109909
Stars This entity has been manually annotated by a third party.
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Formula C30H38N4O4
Net Charge 0
Average Mass 518.648
Monoisotopic Mass 518.28931
InChI InChI=1S/C30H38N4O4/c1-21-18-34(22(2)20-35)29(36)26-16-24(15-14-23-10-6-4-7-11-23)17-31-28(26)38-27(21)19-33(3)30(37)32-25-12-8-5-9-13-25/h5,8-9,12-13,16-17,21-23,27,35H,4,6-7,10-11,18-20H2,1-3H3,(H,32,37)/t21-,22+,27+/m0/s1
InChIKey RGYLHRJGNKTVCX-OREGWCPLSA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3CCCCC3)O[C@@H]1CN(C)C(=O)NC4=CC=CC=C4)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[[(2S,3S)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-phenylurea (CHEBI:109909) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-21336 LINCS
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