(2S)-1-[(2R)-2-acetamido-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2R)-2-acetamido-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2R)-2-acetamido-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2R)-2-acetamido-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2R)-2-acetamido-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2R)-2-acetamido-3-phenyl-propanoyl]proline Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4/c1-11(19)17-13(10-12-6-3-2-4-7-12)15(20)18-9-5-8-14(18)16(21)22/h2-4,6-7,13-14H,5,8-10H2,1H3,(H,17,19)(H,21,22)/t13-,14+/m1/s1