3-(4-fluorophenyl)-1-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea (CHEBI:96302)

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CHEBI:96302 - 3-(4-fluorophenyl)-1-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

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ChEBI ID	CHEBI:96302
ChEBI Name	3-(4-fluorophenyl)-1-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea
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Downloads	Molfile

Formula	C29H34FN3O5S
Net Charge	0
Average Mass	555.672
Monoisotopic Mass	555.22032
SMILES	Cc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C(=O)Nc1ccc(F)cc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O
InChI	InChI=1S/C29H34FN3O5S/c1-19-7-5-6-8-25(19)22-9-14-28-26(15-22)38-27(20(2)16-33(21(3)18-34)39(28,36)37)17-32(4)29(35)31-24-12-10-23(30)11-13-24/h5-15,20-21,27,34H,16-18H2,1-4H3,(H,31,35)/t20-,21-,27-/m1/s1
InChIKey	RIEPFGYATXCXRE-LGVUCKNBSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-(4-fluorophenyl)-1-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea (CHEBI:96302) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-7681	LINCS