1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(3-phenylprop-1-ynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea (CHEBI:119645)

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CHEBI:119645 - 1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(3-phenylprop-1-ynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea

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ChEBI ID	CHEBI:119645
ChEBI Name	1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(3-phenylprop-1-ynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea
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Downloads	Molfile

Formula	C28H36N4O4
Net Charge	0
Average Mass	492.620
Monoisotopic Mass	492.27366
SMILES	CCCNC(=O)N(C)C[C@H]1Oc2ncc(C#CCc3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C
InChI	InChI=1S/C28H36N4O4/c1-5-14-29-28(35)31(4)18-25-20(2)17-32(21(3)19-33)27(34)24-15-23(16-30-26(24)36-25)13-9-12-22-10-7-6-8-11-22/h6-8,10-11,15-16,20-21,25,33H,5,12,14,17-19H2,1-4H3,(H,29,35)/t20-,21+,25+/m0/s1
InChIKey	FGDWBZCHFJENJN-BPYKYCOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(3-phenylprop-1-ynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea (CHEBI:119645) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-31091	LINCS