N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridinecarboxamide (CHEBI:119708)

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CHEBI:119708 - N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridinecarboxamide

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ChEBI ID	CHEBI:119708
ChEBI Name	N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridinecarboxamide
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Downloads	Molfile

Formula	C28H33N3O5S
Net Charge	0
Average Mass	523.655
Monoisotopic Mass	523.21409
SMILES	Cc1ccccc1-c1ccc2c(c1)O[C@H](CN(C)C(=O)c1ccccn1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O
InChI	InChI=1S/C28H33N3O5S/c1-19-9-5-6-10-23(19)22-12-13-27-25(15-22)36-26(17-30(4)28(33)24-11-7-8-14-29-24)20(2)16-31(21(3)18-32)37(27,34)35/h5-15,20-21,26,32H,16-18H2,1-4H3/t20-,21+,26-/m1/s1
InChIKey	UWPUNYQEQGJQBN-YZIHRLCOSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridinecarboxamide (CHEBI:119708) is a pyridinecarboxamide (CHEBI:25529)

Manual Xrefs	Databases
LSM-31153	LINCS