[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-(mesitylsulfonylamino)propionic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCC(=O)OC(C)C(=O)NC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)NC2=CC=CC=C2)C

InChI

InChI=1S/C21H26N2O5S/c1-14-12-15(2)20(16(3)13-14)29(26,27)22-11-10-19(24)28-17(4)21(25)23-18-8-6-5-7-9-18/h5-9,12-13,17,22H,10-11H2,1-4H3,(H,23,25)/t17-/m1/s1