(2S,3S,4S)-3-(carboxymethyl)-4-(phenylmethyl)-4-prop-1-en-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,3S,4S)-3-(carboxymethyl)-4-(phenylmethyl)-4-prop-1-en-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,3S,4S)-4-benzyl-3-(carboxymethyl)-4-isopropenyl-pyrrolidine-2-carboxylic acid CAS Name: (2S,3S,4S)-3-(carboxymethyl)-4-(1-methylethenyl)-4-(phenylmethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,3S,4S)-4-benzyl-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid Traditional Name: (2S,3S,4S)-4-benzyl-3-(carboxymethyl)-4-isopropenyl-proline Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1(CNC(C1CC(=O)O)C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC(=C)[C@]1(CN[C@@H]([C@H]1CC(=O)O)C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C17H21NO4/c1-11(2)17(9-12-6-4-3-5-7-12)10-18-15(16(21)22)13(17)8-14(19)20/h3-7,13,15,18H,1,8-10H2,2H3,(H,19,20)(H,21,22)/t13-,15+,17-/m1/s1