S-[2-oxidanylidene-2-(propylamino)ethyl] (2R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]oxypropanethioate

Systemtic Name: S-[2-oxidanylidene-2-(propylamino)ethyl] (2R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]oxypropanethioate Openeye Name: S-[2-oxo-2-(propylamino)ethyl] (2R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-4-yl]oxypropanethioate CAS Name: (2R)-2-[[(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-oxanyl]oxy]propanethioic acid S-[2-oxo-2-(propylamino)ethyl] ester IUPAC Name: S-[2-oxo-2-(propylamino)ethyl] (2R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxypropanethioate Traditional Name: (2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-2-methoxy-6-methylol-tetrahydropyran-4-yl]oxypropanethioic acid S-[2-keto-2-(propylamino)ethyl] ester Formula: C17H30N2O8S MolecularWeight: 422.4937

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC(=O)C(C)OC1C(C(OC(C1O)CO)OC)NC(=O)C

Isomeric SMILES

CCCNC(=O)CSC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C

InChI

InChI=1S/C17H30N2O8S/c1-5-6-18-12(22)8-28-16(24)9(2)26-15-13(19-10(3)21)17(25-4)27-11(7-20)14(15)23/h9,11,13-15,17,20,23H,5-8H2,1-4H3,(H,18,22)(H,19,21)/t9-,11-,13-,14-,15-,17+/m1/s1