N-[[(2S,3R)-8-(3-cyanophenyl)-5-[(2S)-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-pyrazinecarboxamide (CHEBI:110040)

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CHEBI:110040 - N-[[(2S,3R)-8-(3-cyanophenyl)-5-[(2S)-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-pyrazinecarboxamide

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ChEBI ID	CHEBI:110040
ChEBI Name	N-[[(2S,3R)-8-(3-cyanophenyl)-5-[(2S)-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-pyrazinecarboxamide
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Formula	C27H28N6O4
Net Charge	0
Average Mass	500.559
Monoisotopic Mass	500.21720
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(-c3cccc(C#N)c3)cnc2O[C@@H]1CN(C)C(=O)c1cnccn1
InChI	InChI=1S/C27H28N6O4/c1-17-14-33(18(2)16-34)26(35)22-10-21(20-6-4-5-19(9-20)11-28)12-31-25(22)37-24(17)15-32(3)27(36)23-13-29-7-8-30-23/h4-10,12-13,17-18,24,34H,14-16H2,1-3H3/t17-,18+,24-/m1/s1
InChIKey	FWSGSYZJGWMBSU-NXMSCROESA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(2S,3R)-8-(3-cyanophenyl)-5-[(2S)-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-pyrazinecarboxamide (CHEBI:110040) is a phenylpyridine (CHEBI:38193)

Manual Xrefs	Databases
LSM-21467	LINCS