1-butanoyl-4-oxidanylidene-2-phenylmethoxycarbonyl-3-pyrrolidin-1-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-butanoyl-4-oxidanylidene-2-phenylmethoxycarbonyl-3-pyrrolidin-1-yl-pyrrolidine-2-carboxylic acid Openeye Name: 2-benzyloxycarbonyl-1-butanoyl-4-oxo-3-pyrrolidin-1-yl-pyrrolidine-2-carboxylic acid CAS Name: 4-oxo-1-(1-oxobutyl)-2-phenylmethoxycarbonyl-3-(1-pyrrolidinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-butanoyl-4-oxo-2-phenylmethoxycarbonyl-3-pyrrolidin-1-ylpyrrolidine-2-carboxylic acid Traditional Name: 1-butyryl-2-carbobenzoxy-4-keto-3-pyrrolidino-proline Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CC(=O)C(C1(C(=O)O)C(=O)OCC2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CCCC(=O)N1CC(=O)C(C1(C(=O)O)C(=O)OCC2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C21H26N2O6/c1-2-8-17(25)23-13-16(24)18(22-11-6-7-12-22)21(23,19(26)27)20(28)29-14-15-9-4-3-5-10-15/h3-5,9-10,18H,2,6-8,11-14H2,1H3,(H,26,27)