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

Systemtic Name: 2-[3,4,5-tris(oxidanyl)-6-[2-oxidanyl-1-(pyrrolidin-2-ylcarbonylamino)propyl]oxan-2-yl]sulfanylethyl 2-oxidanylbenzoate Openeye Name: 2-[3,4,5-trihydroxy-6-[2-hydroxy-1-(pyrrolidine-2-carbonylamino)propyl]tetrahydropyran-2-yl]sulfanylethyl 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic acid 2-[[3,4,5-trihydroxy-6-[2-hydroxy-1-[[oxo(2-pyrrolidinyl)methyl]amino]propyl]-2-oxanyl]thio]ethyl ester IUPAC Name: 2-[3,4,5-trihydroxy-6-[2-hydroxy-1-(pyrrolidine-2-carbonylamino)propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid 2-[[3,4,5-trihydroxy-6-[2-hydroxy-1-(prolylamino)propyl]tetrahydropyran-2-yl]thio]ethyl ester Formula: C22H32N2O9S MolecularWeight: 500.56248

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O9S/c1-11(25)15(24-20(30)13-6-4-8-23-13)19-17(28)16(27)18(29)22(33-19)34-10-9-32-21(31)12-5-2-3-7-14(12)26/h2-3,5,7,11,13,15-19,22-23,25-29H,4,6,8-10H2,1H3,(H,24,30)