1-[[(2S,3S)-8-(3-cyanophenyl)-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-propylurea (CHEBI:110084)

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CHEBI:110084 - 1-[[(2S,3S)-8-(3-cyanophenyl)-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-propylurea

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ChEBI ID	CHEBI:110084
ChEBI Name	1-[[(2S,3S)-8-(3-cyanophenyl)-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-propylurea
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Downloads	Molfile

Formula	C26H33N5O4
Net Charge	0
Average Mass	479.581
Monoisotopic Mass	479.25325
SMILES	CCCNC(=O)N(C)C[C@H]1Oc2ncc(-c3cccc(C#N)c3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C
InChI	InChI=1S/C26H33N5O4/c1-5-9-28-26(34)30(4)15-23-17(2)14-31(18(3)16-32)25(33)22-11-21(13-29-24(22)35-23)20-8-6-7-19(10-20)12-27/h6-8,10-11,13,17-18,23,32H,5,9,14-16H2,1-4H3,(H,28,34)/t17-,18+,23+/m0/s1
InChIKey	YVWHEBSLRQSAGP-YZZKKUAISA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[[(2S,3S)-8-(3-cyanophenyl)-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-propylurea (CHEBI:110084) is a phenylpyridine (CHEBI:38193)

Manual Xrefs	Databases
LSM-21511	LINCS