N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-(3-pyridinyl)acetamide (CHEBI:110146)

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CHEBI:110146 - N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-(3-pyridinyl)acetamide

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ChEBI ID	CHEBI:110146
ChEBI Name	N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-(3-pyridinyl)acetamide
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Downloads	Molfile

Formula	C28H37N3O5S
Net Charge	0
Average Mass	527.687
Monoisotopic Mass	527.24539
SMILES	CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)Cc1cccnc1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O
InChI	InChI=1S/C28H37N3O5S/c1-20(2)8-6-9-23-11-12-27-25(14-23)36-26(21(3)17-31(22(4)19-32)37(27,34)35)18-30(5)28(33)15-24-10-7-13-29-16-24/h7,10-14,16,20-22,26,32H,8,15,17-19H2,1-5H3/t21-,22+,26-/m1/s1
InChIKey	HNBFIRYNWWOTHM-TVZXLZGTSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-(3-pyridinyl)acetamide (CHEBI:110146) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-21573	LINCS