N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyrazinecarboxamide (CHEBI:106268)

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CHEBI:106268 - N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyrazinecarboxamide

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ChEBI ID	CHEBI:106268
ChEBI Name	N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyrazinecarboxamide
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Last Modified	7 March 2018
Downloads	Molfile

Formula	C25H32N4O5S
Net Charge	0
Average Mass	500.621
Monoisotopic Mass	500.20934
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)c2cnccn2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O
InChI	InChI=1S/C25H32N4O5S/c1-17-14-29(18(2)16-30)35(32,33)24-9-8-20(19-6-4-5-7-19)12-22(24)34-23(17)15-28(3)25(31)21-13-26-10-11-27-21/h6,8-13,17-18,23,30H,4-5,7,14-16H2,1-3H3/t17-,18+,23-/m0/s1
InChIKey	KDJJTCSMQRMMRL-IXFSTUDKSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyrazinecarboxamide (CHEBI:106268) is a pyrazines (CHEBI:38314)
	N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyrazinecarboxamide (CHEBI:106268) is a tertiary carboxamide (CHEBI:140326)

Manual Xrefs	Databases
LSM-17629	LINCS