(2S,4S,5R,6R)-5-(ethanethioylamino)-4-oxidanyl-2-[3-[2-(prop-2-enoylamino)ethylsulfanyl]propylsulfanyl]-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: (2S,4S,5R,6R)-5-(ethanethioylamino)-4-oxidanyl-2-[3-[2-(prop-2-enoylamino)ethylsulfanyl]propylsulfanyl]-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: (2S,4S,5R,6R)-5-(ethanethioylamino)-4-hydroxy-2-[3-[2-(prop-2-enoylamino)ethylsulfanyl]propylsulfanyl]-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid CAS Name: (2S,4S,5R,6R)-4-hydroxy-2-[3-[2-(1-oxoprop-2-enylamino)ethylthio]propylthio]-5-(1-sulfanylideneethylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid IUPAC Name: (2S,4S,5R,6R)-5-(ethanethioylamino)-4-hydroxy-2-[3-[2-(prop-2-enoylamino)ethylsulfanyl]propylsulfanyl]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid Traditional Name: (2S,4S,5R,6R)-2-[3-(2-acrylamidoethylthio)propylthio]-4-hydroxy-5-(thioacetylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid Formula: C19H32N2O8S3 MolecularWeight: 512.66098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)SCCCSCCNC(=O)C=C)O

Isomeric SMILES

CC(=S)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)SCCCSCCNC(=O)C=C)O

InChI

InChI=1S/C19H32N2O8S3/c1-3-14(25)20-5-8-31-6-4-7-32-19(18(27)28)9-12(23)15(21-11(2)30)17(29-19)16(26)13(24)10-22/h3,12-13,15-17,22-24,26H,1,4-10H2,2H3,(H,20,25)(H,21,30)(H,27,28)/t12-,13+,15+,16+,17+,19-/m0/s1