N-[5-acetamido-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-2-(phenylmethylsulfanyl)phenyl]ethanamide

Systemtic Name: N-[5-acetamido-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-2-(phenylmethylsulfanyl)phenyl]ethanamide Openeye Name: N-[5-acetamido-2-benzylsulfanyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-phenyl]acetamide CAS Name: N-[5-acetamido-2-(phenylmethylthio)-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]thio]phenyl]acetamide IUPAC Name: N-[5-acetamido-2-benzylsulfanyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylphenyl]acetamide Traditional Name: N-[5-acetamido-2-(benzylthio)-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]thio]phenyl]acetamide Formula: C23H28N2O7S2 MolecularWeight: 508.60762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1SC2C(C(C(C(O2)CO)O)O)O)SCC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)SCC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C23H28N2O7S2/c1-12(27)24-15-8-16(25-13(2)28)19(9-18(15)33-11-14-6-4-3-5-7-14)34-23-22(31)21(30)20(29)17(10-26)32-23/h3-9,17,20-23,26,29-31H,10-11H2,1-2H3,(H,24,27)(H,25,28)/t17-,20+,21+,22-,23+/m1/s1