1-[4-(2-azanylethyl)pyrrolidin-2-yl]carbonyl-4-[(2-oxidanyl-4-phenyl-butanoyl)amino]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(2-azanylethyl)pyrrolidin-2-yl]carbonyl-4-[(2-oxidanyl-4-phenyl-butanoyl)amino]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(2-aminoethyl)pyrrolidine-2-carbonyl]-4-[(2-hydroxy-4-phenyl-butanoyl)amino]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-(2-aminoethyl)-2-pyrrolidinyl]-oxomethyl]-4-[(2-hydroxy-1-oxo-4-phenylbutyl)amino]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(2-aminoethyl)pyrrolidine-2-carbonyl]-4-[(2-hydroxy-4-phenylbutanoyl)amino]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(2-aminoethyl)prolyl]-4-[(2-hydroxy-4-phenyl-butanoyl)amino]proline Formula: C22H32N4O5 MolecularWeight: 432.51328

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)N2CC(CC2C(=O)O)NC(=O)C(CCC3=CC=CC=C3)O)CCN

Isomeric SMILES

C1C(CNC1C(=O)N2CC(CC2C(=O)O)NC(=O)C(CCC3=CC=CC=C3)O)CCN

InChI

InChI=1S/C22H32N4O5/c23-9-8-15-10-17(24-12-15)21(29)26-13-16(11-18(26)22(30)31)25-20(28)19(27)7-6-14-4-2-1-3-5-14/h1-5,15-19,24,27H,6-13,23H2,(H,25,28)(H,30,31)