3-(1,3-benzodioxol-5-yl)-1-[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea (CHEBI:96656)

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CHEBI:96656 - 3-(1,3-benzodioxol-5-yl)-1-[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-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:96656
ChEBI Name	3-(1,3-benzodioxol-5-yl)-1-[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea
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Formula	C29H37N3O7S
Net Charge	0
Average Mass	571.696
Monoisotopic Mass	571.23522
SMILES	C[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C(=O)Nc1ccc2c(c1)OCO2
InChI	InChI=1S/C29H37N3O7S/c1-19-15-32(20(2)17-33)40(35,36)28-12-9-22(21-7-5-4-6-8-21)13-26(28)39-27(19)16-31(3)29(34)30-23-10-11-24-25(14-23)38-18-37-24/h7,9-14,19-20,27,33H,4-6,8,15-18H2,1-3H3,(H,30,34)/t19-,20+,27-/m1/s1
InChIKey	ZBKDHRFNQBVZSS-IOKPGSKQSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-(1,3-benzodioxol-5-yl)-1-[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea (CHEBI:96656) is a benzodioxoles (CHEBI:38298)

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LSM-8035	LINCS