(2S)-2-azanyl-3-phenyl-propanoic acid; (2S)-2-methyl-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-2-azanyl-3-phenyl-propanoic acid; (2S)-2-methyl-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-2-amino-3-phenyl-propanoic acid; (2S)-2-methyl-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-2-amino-3-phenylpropanoic acid; (2S)-2-methyl-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-2-amino-3-phenylpropanoic acid; (2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid Traditional Name: (2S)-2-amino-3-phenyl-propionic acid; (2S)-2-methyl-1-tosyl-proline Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2(C)C(=O)O.C1=CC=C(C=C1)CC(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@]2(C)C(=O)O.C1=CC=C(C=C1)C[C@@H](C(=O)O)N

InChI

InChI=1S/C13H17NO4S.C9H11NO2/c1-10-4-6-11(7-5-10)19(17,18)14-9-3-8-13(14,2)12(15)16;10-8(9(11)12)6-7-4-2-1-3-5-7/h4-7H,3,8-9H2,1-2H3,(H,15,16);1-5,8H,6,10H2,(H,11,12)/t13-;8-/m00/s1