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

Systemtic Name: methyl (2S)-2-[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-3-methyl-2-(p-tolylsulfonylamino)butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-3-methyl-2-(tosylamino)butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-15(2)20(24-30(27,28)18-12-10-16(3)11-13-18)21(25)23-19(22(26)29-4)14-17-8-6-5-7-9-17/h5-13,15,19-20,24H,14H2,1-4H3,(H,23,25)/t19-,20-/m0/s1