decyl 2-[[2-(2-azanyl-2-oxidanylidene-ethyl)-6-(hydroxymethyl)-5-oxidanyl-3-sulfanyl-oxan-4-yl]amino]-3-sulfanyl-propanoate

Systemtic Name: decyl 2-[[2-(2-azanyl-2-oxidanylidene-ethyl)-6-(hydroxymethyl)-5-oxidanyl-3-sulfanyl-oxan-4-yl]amino]-3-sulfanyl-propanoate Openeye Name: decyl 2-[[2-(2-amino-2-oxo-ethyl)-5-hydroxy-6-(hydroxymethyl)-3-sulfanyl-tetrahydropyran-4-yl]amino]-3-sulfanyl-propanoate CAS Name: 2-[[2-(2-amino-2-oxoethyl)-5-hydroxy-6-(hydroxymethyl)-3-mercapto-4-oxanyl]amino]-3-mercaptopropanoic acid decyl ester IUPAC Name: decyl 2-[[2-(2-amino-2-oxoethyl)-5-hydroxy-6-(hydroxymethyl)-3-sulfanyloxan-4-yl]amino]-3-sulfanylpropanoate Traditional Name: 2-[[2-(2-amino-2-keto-ethyl)-5-hydroxy-3-mercapto-6-methylol-tetrahydropyran-4-yl]amino]-3-mercapto-propionic acid decyl ester Formula: C21H40N2O6S2 MolecularWeight: 480.6821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C(CS)NC1C(C(OC(C1S)CC(=O)N)CO)O

Isomeric SMILES

CCCCCCCCCCOC(=O)C(CS)NC1C(C(OC(C1S)CC(=O)N)CO)O

InChI

InChI=1S/C21H40N2O6S2/c1-2-3-4-5-6-7-8-9-10-28-21(27)14(13-30)23-18-19(26)16(12-24)29-15(20(18)31)11-17(22)25/h14-16,18-20,23-24,26,30-31H,2-13H2,1H3,(H2,22,25)