methyl (2S)-2-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(p-tolylsulfonylamino)propanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(tosylamino)propanoyl]amino]propionic acid methyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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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)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C26H28N2O5S/c1-19-13-15-22(16-14-19)34(31,32)28-23(17-20-9-5-3-6-10-20)25(29)27-24(26(30)33-2)18-21-11-7-4-8-12-21/h3-16,23-24,28H,17-18H2,1-2H3,(H,27,29)/t23-,24-/m0/s1