1-[[(4R,5R)-2-[(2S)-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:106110)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:106110 - 1-[[(4R,5R)-2-[(2S)-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

Take structure to advanced search

ChEBI ID	CHEBI:106110
ChEBI Name	1-[[(4R,5R)-2-[(2S)-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
Stars
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-CZSZKKDXSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[[(4R,5R)-2-[(2S)-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:106110) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-17471	LINCS