ethyl (2R)-2-acetamido-3-[(2S)-3-phenyl-2-(phenylsulfonylamino)propanoyl]sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-acetamido-3-[(2S)-3-phenyl-2-(phenylsulfonylamino)propanoyl]sulfanyl-propanoate Openeye Name: ethyl (2R)-2-acetamido-3-[(2S)-2-(benzenesulfonamido)-3-phenyl-propanoyl]sulfanyl-propanoate CAS Name: (2R)-2-acetamido-3-[[(2S)-2-(benzenesulfonamido)-1-oxo-3-phenylpropyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-acetamido-3-[(2S)-2-(benzenesulfonamido)-3-phenylpropanoyl]sulfanylpropanoate Traditional Name: (2R)-2-acetamido-3-[[(2S)-2-(benzenesulfonamido)-3-phenyl-propanoyl]thio]propionic acid ethyl ester Formula: C22H26N2O6S2 MolecularWeight: 478.58164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@H](CSC(=O)[C@H](CC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C22H26N2O6S2/c1-3-30-21(26)20(23-16(2)25)15-31-22(27)19(14-17-10-6-4-7-11-17)24-32(28,29)18-12-8-5-9-13-18/h4-13,19-20,24H,3,14-15H2,1-2H3,(H,23,25)/t19-,20-/m0/s1