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

Systemtic Name: methyl (2S)-4-methyl-2-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]pent-4-enoate Openeye Name: methyl (2S)-4-methyl-2-[[(2S)-3-phenyl-2-(p-tolylsulfonylamino)propanoyl]amino]pent-4-enoate CAS Name: (2S)-4-methyl-2-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-1-oxo-3-phenylpropyl]amino]-4-pentenoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]amino]pent-4-enoate Traditional Name: (2S)-4-methyl-2-[[(2S)-3-phenyl-2-(tosylamino)propanoyl]amino]pent-4-enoic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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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(CC(=C)C)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](CC(=C)C)C(=O)OC

InChI

InChI=1S/C23H28N2O5S/c1-16(2)14-21(23(27)30-4)24-22(26)20(15-18-8-6-5-7-9-18)25-31(28,29)19-12-10-17(3)11-13-19/h5-13,20-21,25H,1,14-15H2,2-4H3,(H,24,26)/t20-,21-/m0/s1