2-[6-[2-methoxy-1-(pyrrolidin-2-ylcarbonylamino)propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylethyl 2-oxidanylbenzoate

Systemtic Name: 2-[6-[2-methoxy-1-(pyrrolidin-2-ylcarbonylamino)propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylethyl 2-oxidanylbenzoate Openeye Name: 2-[3,4,5-trihydroxy-6-[2-methoxy-1-(pyrrolidine-2-carbonylamino)propyl]tetrahydropyran-2-yl]sulfanylethyl 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic acid 2-[[3,4,5-trihydroxy-6-[2-methoxy-1-[[oxo(2-pyrrolidinyl)methyl]amino]propyl]-2-oxanyl]thio]ethyl ester IUPAC Name: 2-[3,4,5-trihydroxy-6-[2-methoxy-1-(pyrrolidine-2-carbonylamino)propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid 2-[[3,4,5-trihydroxy-6-[2-methoxy-1-(prolylamino)propyl]tetrahydropyran-2-yl]thio]ethyl ester Formula: C23H34N2O9S MolecularWeight: 514.58906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1C(C(C(C(O1)SCCOC(=O)C2=CC=CC=C2O)O)O)O)NC(=O)C3CCCN3)OC

Isomeric SMILES

CC(C(C1C(C(C(C(O1)SCCOC(=O)C2=CC=CC=C2O)O)O)O)NC(=O)C3CCCN3)OC

InChI

InChI=1S/C23H34N2O9S/c1-12(32-2)16(25-21(30)14-7-5-9-24-14)20-18(28)17(27)19(29)23(34-20)35-11-10-33-22(31)13-6-3-4-8-15(13)26/h3-4,6,8,12,14,16-20,23-24,26-29H,5,7,9-11H2,1-2H3,(H,25,30)