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

Systemtic Name: 1-[2-[(2-ethoxycarbonyl-3-methyl-2-oxidanyl-butanoyl)amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(2-ethoxycarbonyl-2-hydroxy-3-methyl-butanoyl)amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(2-ethoxycarbonyl-2-hydroxy-3-methyl-1-oxobutyl)amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(2-ethoxycarbonyl-2-hydroxy-3-methylbutanoyl)amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(2-carbethoxy-2-hydroxy-3-methyl-butanoyl)amino]-3-phenyl-propanoyl]proline Formula: C22H30N2O7 MolecularWeight: 434.4828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O7/c1-4-31-21(29)22(30,14(2)3)20(28)23-16(13-15-9-6-5-7-10-15)18(25)24-12-8-11-17(24)19(26)27/h5-7,9-10,14,16-17,30H,4,8,11-13H2,1-3H3,(H,23,28)(H,26,27)