N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide (CHEBI:127311)

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CHEBI:127311 - N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide

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ChEBI ID	CHEBI:127311
ChEBI Name	N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide
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Downloads	Molfile

Formula	C26H33N3O5S
Net Charge	0
Average Mass	499.633
Monoisotopic Mass	499.21409
SMILES	C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C(=O)c1ccncc1
InChI	InChI=1S/C26H33N3O5S/c1-18-15-29(19(2)17-30)35(32,33)25-9-8-22(20-6-4-5-7-20)14-23(25)34-24(18)16-28(3)26(31)21-10-12-27-13-11-21/h6,8-14,18-19,24,30H,4-5,7,15-17H2,1-3H3/t18-,19-,24-/m0/s1
InChIKey	UUKRRDUZPZRNGK-JXQFQVJHSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide (CHEBI:127311) is a pyridinecarboxamide (CHEBI:25529)

Manual Xrefs	Databases
LSM-38870	LINCS