N-[[(4S,5R)-8-[3-(dimethylamino)prop-1-ynyl]-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-methylcyclohexanecarboxamide (CHEBI:96296)

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CHEBI:96296 - N-[[(4S,5R)-8-[3-(dimethylamino)prop-1-ynyl]-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-methylcyclohexanecarboxamide

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ChEBI ID	CHEBI:96296
ChEBI Name	N-[[(4S,5R)-8-[3-(dimethylamino)prop-1-ynyl]-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-methylcyclohexanecarboxamide
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Downloads	Molfile

Formula	C27H41N3O5S
Net Charge	0
Average Mass	519.708
Monoisotopic Mass	519.27669
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)C2CCCCC2)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O
InChI	InChI=1S/C27H41N3O5S/c1-20-17-30(21(2)19-31)36(33,34)26-14-13-22(10-9-15-28(3)4)16-24(26)35-25(20)18-29(5)27(32)23-11-7-6-8-12-23/h13-14,16,20-21,23,25,31H,6-8,11-12,15,17-19H2,1-5H3/t20-,21+,25-/m0/s1
InChIKey	UDLZIJJYMLYVSF-BKSPAHHJSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4S,5R)-8-[3-(dimethylamino)prop-1-ynyl]-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-methylcyclohexanecarboxamide (CHEBI:96296) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-7675	LINCS