(2S,3S,5S)-5-(2-carboxypyrrolidin-1-yl)carbonyl-3-(phenylmethyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,3S,5S)-5-(2-carboxypyrrolidin-1-yl)carbonyl-3-(phenylmethyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,3S,5S)-3-benzyl-5-(2-carboxypyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,3S,5S)-5-[(2-carboxy-1-pyrrolidinyl)-oxomethyl]-3-(phenylmethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,3S,5S)-3-benzyl-5-(2-carboxypyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,3S,5S)-3-benzyl-5-(2-carboxypyrrolidine-1-carbonyl)proline Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CC(C(N2)C(=O)O)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)[C@@H]2C[C@@H]([C@H](N2)C(=O)O)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H22N2O5/c21-16(20-8-4-7-14(20)17(22)23)13-10-12(15(19-13)18(24)25)9-11-5-2-1-3-6-11/h1-3,5-6,12-15,19H,4,7-10H2,(H,22,23)(H,24,25)/t12-,13-,14?,15-/m0/s1