1-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea (CHEBI:106082)

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CHEBI:106082 - 1-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-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:106082
ChEBI Name	1-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-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	C27H35N3O5S
Net Charge	0
Average Mass	513.660
Monoisotopic Mass	513.22974
SMILES	CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)Nc1ccccc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O
InChI	InChI=1S/C27H35N3O5S/c1-19(2)11-12-22-13-14-26-24(15-22)35-25(20(3)16-30(21(4)18-31)36(26,33)34)17-29(5)27(32)28-23-9-7-6-8-10-23/h6-10,13-15,19-21,25,31H,16-18H2,1-5H3,(H,28,32)/t20-,21-,25+/m1/s1
InChIKey	GKCJFKOMNRYVJH-OTPAQWSUSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea (CHEBI:106082) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-17443	LINCS