N-[[(4S,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:113946)

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CHEBI:113946 - N-[[(4S,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

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ChEBI ID	CHEBI:113946
ChEBI Name	N-[[(4S,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
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Downloads	Molfile

Formula	C27H32N4O5S
Net Charge	0
Average Mass	524.643
Monoisotopic Mass	524.20934
SMILES	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Cc2ccccc2)Oc2cc(-c3cncnc3)ccc2S1(=O)=O
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+/m0/s1
InChIKey	LQAOJDLPUWWIJF-WZOHSFFVSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4S,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:113946) is a pyrimidines (CHEBI:39447)

Manual Xrefs	Databases
LSM-25378	LINCS