N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-phenylacetamide (CHEBI:114072)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:114072 - N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-phenylacetamide

Take structure to advanced search

ChEBI ID	CHEBI:114072
ChEBI Name	N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-phenylacetamide
Stars
Downloads	Molfile

Formula	C27H32N4O5S
Net Charge	0
Average Mass	524.643
Monoisotopic Mass	524.20934
SMILES	C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cncnc3)cc2O[C@@H]1CN(C)C(=O)Cc1ccccc1
InChI	InChI=1S/C27H32N4O5S/c1-19-15-31(20(2)17-32)37(34,35)26-10-9-22(23-13-28-18-29-14-23)12-24(26)36-25(19)16-30(3)27(33)11-21-7-5-4-6-8-21/h4-10,12-14,18-20,25,32H,11,15-17H2,1-3H3/t19-,20-,25-/m1/s1
InChIKey	LQAOJDLPUWWIJF-UMEGOILYSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-phenylacetamide (CHEBI:114072) is a pyrimidines (CHEBI:39447)

Manual Xrefs	Databases
LSM-25504	LINCS