[2-(2-azanyl-2-oxidanylidene-ethyl)-6-(hydroxymethyl)-5-oxidanyl-3-sulfanyl-oxan-4-yl] 2-(decylamino)-3-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]propanoate

Systemtic Name: [2-(2-azanyl-2-oxidanylidene-ethyl)-6-(hydroxymethyl)-5-oxidanyl-3-sulfanyl-oxan-4-yl] 2-(decylamino)-3-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]propanoate Openeye Name: [2-(2-amino-2-oxo-ethyl)-5-hydroxy-6-(hydroxymethyl)-3-sulfanyl-tetrahydropyran-4-yl] 3-tert-butoxycarbonylsulfanyl-2-(decylamino)propanoate CAS Name: 2-(decylamino)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]thio]propanoic acid [2-(2-amino-2-oxoethyl)-5-hydroxy-6-(hydroxymethyl)-3-mercapto-4-oxanyl] ester IUPAC Name: [2-(2-amino-2-oxoethyl)-5-hydroxy-6-(hydroxymethyl)-3-sulfanyloxan-4-yl] 2-(decylamino)-3-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]propanoate Traditional Name: 3-(tert-butoxycarbonylthio)-2-(decylamino)propionic acid [2-(2-amino-2-keto-ethyl)-5-hydroxy-3-mercapto-6-methylol-tetrahydropyran-4-yl] ester Formula: C26H48N2O8S2 MolecularWeight: 580.79792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC(CSC(=O)OC(C)(C)C)C(=O)OC1C(C(OC(C1S)CC(=O)N)CO)O

Isomeric SMILES

CCCCCCCCCCNC(CSC(=O)OC(C)(C)C)C(=O)OC1C(C(OC(C1S)CC(=O)N)CO)O

InChI

InChI=1S/C26H48N2O8S2/c1-5-6-7-8-9-10-11-12-13-28-17(16-38-25(33)36-26(2,3)4)24(32)35-22-21(31)19(15-29)34-18(23(22)37)14-20(27)30/h17-19,21-23,28-29,31,37H,5-16H2,1-4H3,(H2,27,30)