1-[3-methyl-2-[methyl-(2-oxidanyl-3-phenyl-propanoyl)amino]butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-methyl-2-[methyl-(2-oxidanyl-3-phenyl-propanoyl)amino]butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(2-hydroxy-3-phenyl-propanoyl)-methyl-amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(2-hydroxy-1-oxo-3-phenylpropyl)-methylamino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(2-hydroxy-3-phenylpropanoyl)-methylamino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(2-hydroxy-3-phenyl-propanoyl)-methyl-amino]-3-methyl-butanoyl]proline Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)O)N(C)C(=O)C(CC2=CC=CC=C2)O

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1C(=O)O)N(C)C(=O)C(CC2=CC=CC=C2)O

InChI

InChI=1S/C20H28N2O5/c1-13(2)17(19(25)22-11-7-10-15(22)20(26)27)21(3)18(24)16(23)12-14-8-5-4-6-9-14/h4-6,8-9,13,15-17,23H,7,10-12H2,1-3H3,(H,26,27)