1-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea (CHEBI:110130)

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CHEBI:110130 - 1-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea

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ChEBI ID	CHEBI:110130
ChEBI Name	1-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea
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Downloads	Molfile

Formula	C29H35N3O5S
Net Charge	0
Average Mass	537.682
Monoisotopic Mass	537.22974
SMILES	Cc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C(=O)Nc2ccccc2)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1
InChI	InChI=1S/C29H35N3O5S/c1-20-10-12-23(13-11-20)24-14-15-28-26(16-24)37-27(21(2)17-32(22(3)19-33)38(28,35)36)18-31(4)29(34)30-25-8-6-5-7-9-25/h5-16,21-22,27,33H,17-19H2,1-4H3,(H,30,34)/t21-,22+,27-/m1/s1
InChIKey	SOAPYNAROURGPA-UMTXDNHDSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea (CHEBI:110130) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-21557	LINCS