N-[[(4S,5S)-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]-2-cyclopropyl-N-methylacetamide (CHEBI:129349)

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CHEBI:129349 - N-[[(4S,5S)-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]-2-cyclopropyl-N-methylacetamide

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ChEBI ID	CHEBI:129349
ChEBI Name	N-[[(4S,5S)-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]-2-cyclopropyl-N-methylacetamide
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Downloads	Molfile

Formula	C25H36N2O5S
Net Charge	0
Average Mass	476.639
Monoisotopic Mass	476.23449
SMILES	C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C(=O)CC1CC1
InChI	InChI=1S/C25H36N2O5S/c1-17-14-27(18(2)16-28)33(30,31)24-11-10-21(20-6-4-5-7-20)13-22(24)32-23(17)15-26(3)25(29)12-19-8-9-19/h6,10-11,13,17-19,23,28H,4-5,7-9,12,14-16H2,1-3H3/t17-,18-,23+/m0/s1
InChIKey	KQHBUOPQWHUOND-IUKKYPGJSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4S,5S)-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]-2-cyclopropyl-N-methylacetamide (CHEBI:129349) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-40900	LINCS