(phenylmethyl) (2S,4S,5R,6R)-5-acetamido-2-(4-aminophenyl)sulfanyl-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,4S,5R,6R)-5-acetamido-2-(4-aminophenyl)sulfanyl-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate Openeye Name: benzyl (2S,4S,5R,6R)-5-acetamido-2-(4-aminophenyl)sulfanyl-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2S,4S,5R,6R)-5-acetamido-2-[(4-aminophenyl)thio]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,4S,5R,6R)-5-acetamido-2-(4-aminophenyl)sulfanyl-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate Traditional Name: (2S,4S,5R,6R)-5-acetamido-2-[(4-aminophenyl)thio]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid benzyl ester Formula: C24H30N2O8S MolecularWeight: 506.5686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)OCC2=CC=CC=C2)SC3=CC=C(C=C3)N)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)OCC2=CC=CC=C2)SC3=CC=C(C=C3)N)O

InChI

InChI=1S/C24H30N2O8S/c1-14(28)26-20-18(29)11-24(34-22(20)21(31)19(30)12-27,35-17-9-7-16(25)8-10-17)23(32)33-13-15-5-3-2-4-6-15/h2-10,18-22,27,29-31H,11-13,25H2,1H3,(H,26,28)/t18-,19+,20+,21+,22+,24-/m0/s1