1-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea (CHEBI:119560)

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CHEBI:119560 - 1-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea

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ChEBI ID	CHEBI:119560
ChEBI Name	1-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
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Downloads	Molfile

Formula	C30H37N3O7S
Net Charge	0
Average Mass	583.707
Monoisotopic Mass	583.23522
SMILES	COc1cccc(NC(=O)N(C)C[C@@H]2Oc3cc(-c4ccccc4OC)ccc3S(=O)(=O)N([C@H](C)CO)C[C@@H]2C)c1
InChI	InChI=1S/C30H37N3O7S/c1-20-17-33(21(2)19-34)41(36,37)29-14-13-22(25-11-6-7-12-26(25)39-5)15-27(29)40-28(20)18-32(3)30(35)31-23-9-8-10-24(16-23)38-4/h6-16,20-21,28,34H,17-19H2,1-5H3,(H,31,35)/t20-,21+,28-/m0/s1
InChIKey	ZMKYSZODYJXXSG-GTNJKRJXSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea (CHEBI:119560) is a ureas (CHEBI:47857)

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LSM-31007	LINCS