ethyl (2R)-2-acetamido-3-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-acetamido-3-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]sulfanyl-propanoate Openeye Name: ethyl (2R)-2-acetamido-3-[(2S)-3-phenyl-2-(p-tolylsulfonylamino)propanoyl]sulfanyl-propanoate CAS Name: (2R)-2-acetamido-3-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-1-oxo-3-phenylpropyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-acetamido-3-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]sulfanylpropanoate Traditional Name: (2R)-2-acetamido-3-[[(2S)-3-phenyl-2-(tosylamino)propanoyl]thio]propionic acid ethyl ester Formula: C23H28N2O6S2 MolecularWeight: 492.60822

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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=C(C=C2)C)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6S2/c1-4-31-22(27)21(24-17(3)26)15-32-23(28)20(14-18-8-6-5-7-9-18)25-33(29,30)19-12-10-16(2)11-13-19/h5-13,20-21,25H,4,14-15H2,1-3H3,(H,24,26)/t20-,21-/m0/s1