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

Systemtic Name: methyl (2R)-2-acetamido-3-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]sulfanyl-propanoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C22H26N2O6S2 MolecularWeight: 478.58164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)SCC(C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)SC[C@@H](C(=O)OC)NC(=O)C

InChI

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