3-(phenylmethoxycarbonylamino)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-(phenylmethoxycarbonylamino)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid CAS Name: 3-(phenylmethoxycarbonylamino)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-(phenylmethoxycarbonylamino)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-2-(mesitylsulfonylamino)propionic acid Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CNC(=O)OCC2=CC=CC=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CNC(=O)OCC2=CC=CC=C2)C(=O)O)C

InChI

InChI=1S/C20H24N2O6S/c1-13-9-14(2)18(15(3)10-13)29(26,27)22-17(19(23)24)11-21-20(25)28-12-16-7-5-4-6-8-16/h4-10,17,22H,11-12H2,1-3H3,(H,21,25)(H,23,24)