3-cyclopentyl-1-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea (CHEBI:119668)

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CHEBI:119668 - 3-cyclopentyl-1-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

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ChEBI ID	CHEBI:119668
ChEBI Name	3-cyclopentyl-1-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea
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Downloads	Molfile

Formula	C26H36N4O5S
Net Charge	0
Average Mass	516.664
Monoisotopic Mass	516.24064
SMILES	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCC2)Oc2cc(-c3cccnc3)ccc2S1(=O)=O
InChI	InChI=1S/C26H36N4O5S/c1-18-15-30(19(2)17-31)36(33,34)25-11-10-20(21-7-6-12-27-14-21)13-23(25)35-24(18)16-29(3)26(32)28-22-8-4-5-9-22/h6-7,10-14,18-19,22,24,31H,4-5,8-9,15-17H2,1-3H3,(H,28,32)/t18-,19+,24+/m0/s1
InChIKey	AOAVRGNJVMAOBU-XLNZFTOWSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-cyclopentyl-1-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea (CHEBI:119668) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-31114	LINCS