1-[2-[(3-benzamido-2-oxidanyl-4-phenyl-butyl)-methyl-amino]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(3-benzamido-2-oxidanyl-4-phenyl-butyl)-methyl-amino]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(3-benzamido-2-hydroxy-4-phenyl-butyl)-methyl-amino]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(3-benzamido-2-hydroxy-4-phenylbutyl)-methylamino]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(3-benzamido-2-hydroxy-4-phenylbutyl)-methylamino]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(3-benzamido-2-hydroxy-4-phenyl-butyl)-methyl-amino]acetyl]proline Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O)CC(=O)N3CCCC3C(=O)O

Isomeric SMILES

CN(CC(C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O)CC(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C25H31N3O5/c1-27(17-23(30)28-14-8-13-21(28)25(32)33)16-22(29)20(15-18-9-4-2-5-10-18)26-24(31)19-11-6-3-7-12-19/h2-7,9-12,20-22,29H,8,13-17H2,1H3,(H,26,31)(H,32,33)