1-[[(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]-1-methyl-3-propylurea (CHEBI:95574)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:95574 - 1-[[(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]-1-methyl-3-propylurea

Take structure to advanced search

ChEBI ID	CHEBI:95574
ChEBI Name	1-[[(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]-1-methyl-3-propylurea
Stars
Downloads	Molfile

Formula	C23H33N5O5S
Net Charge	0
Average Mass	491.614
Monoisotopic Mass	491.22024
SMILES	CCCNC(=O)N(C)C[C@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C
InChI	InChI=1S/C23H33N5O5S/c1-5-8-26-23(30)27(4)13-21-16(2)12-28(17(3)14-29)34(31,32)22-7-6-18(9-20(22)33-21)19-10-24-15-25-11-19/h6-7,9-11,15-17,21,29H,5,8,12-14H2,1-4H3,(H,26,30)/t16-,17-,21-/m1/s1
InChIKey	NMUQMAVVZJKKCB-CBGDNZLLSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[[(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]-1-methyl-3-propylurea (CHEBI:95574) is a pyrimidines (CHEBI:39447)

Manual Xrefs	Databases
LSM-6953	LINCS