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

Systemtic Name: 1-[2-[(3-ethoxy-2-methyl-2-oxidanyl-3-oxidanylidene-propanoyl)amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(3-ethoxy-2-hydroxy-2-methyl-3-oxo-propanoyl)amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(3-ethoxy-2-hydroxy-2-methyl-1,3-dioxopropyl)amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(3-ethoxy-2-hydroxy-2-methyl-3-oxopropanoyl)amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(3-ethoxy-2-hydroxy-3-keto-2-methyl-propanoyl)amino]-3-phenyl-propanoyl]proline Formula: C20H26N2O7 MolecularWeight: 406.42964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O7/c1-3-29-19(27)20(2,28)18(26)21-14(12-13-8-5-4-6-9-13)16(23)22-11-7-10-15(22)17(24)25/h4-6,8-9,14-15,28H,3,7,10-12H2,1-2H3,(H,21,26)(H,24,25)