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CHEBI:98817 - 2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester

Default Structure
ChEBI IDCHEBI:98817
ChEBI Name2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
Stars
Last Modified8 February 2017
DownloadsMolfile
FormulaC16H25N3O7S
Net Charge0
Average Mass403.457
Monoisotopic Mass403.14132
SMILESCOC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2S(=O)(=O)c2cn(C)cn2)O1
InChIInChI=1S/C16H25N3O7S/c1-18-7-15(17-10-18)27(22,23)19-6-11(20)8-25-9-14-13(19)4-3-12(26-14)5-16(21)24-2/h7,10-14,20H,3-6,8-9H2,1-2H3/t11-,12+,13-,14+/m0/s1
InChIKeyHDTRYUIMSWCRLO-RFQIPJPRSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester (CHEBI:98817) is a imidazoles (CHEBI:24780)
Manual XrefsDatabases
LSM-10196LINCS