4-cyano-N-[[(2R,3S)-8-(3-fluorophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide (CHEBI:113999)

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CHEBI:113999 - 4-cyano-N-[[(2R,3S)-8-(3-fluorophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide

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ChEBI ID	CHEBI:113999
ChEBI Name	4-cyano-N-[[(2R,3S)-8-(3-fluorophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
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Downloads	Molfile

Formula	C28H29FN4O5S
Net Charge	0
Average Mass	552.628
Monoisotopic Mass	552.18427
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(C#N)cc2)Oc2ncc(-c3cccc(F)c3)cc2C1=O
InChI	InChI=1S/C28H29FN4O5S/c1-18-15-33(19(2)17-34)28(35)25-12-22(21-5-4-6-23(29)11-21)14-31-27(25)38-26(18)16-32(3)39(36,37)24-9-7-20(13-30)8-10-24/h4-12,14,18-19,26,34H,15-17H2,1-3H3/t18-,19+,26-/m0/s1
InChIKey	VPMPMBMAXPBCKB-ANSQWYIGSA-N

ChEBI Ontology

Outgoing Relation(s)
	4-cyano-N-[[(2R,3S)-8-(3-fluorophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide (CHEBI:113999) is a phenylpyridine (CHEBI:38193)

Manual Xrefs	Databases
LSM-25431	LINCS