1-[2-[(3-benzamido-5-methyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(3-benzamido-5-methyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(2-benzamido-1-carboxy-4-methyl-pentyl)amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(3-benzamido-1-hydroxy-5-methyl-1-oxohexan-2-yl)amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(3-benzamido-1-hydroxy-5-methyl-1-oxohexan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(2-benzamido-1-carboxy-4-methyl-pentyl)amino]propanoyl]proline Formula: C22H31N3O6 MolecularWeight: 433.49804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(=O)O)NC(C)C(=O)N1CCCC1C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(C(=O)O)NC(C)C(=O)N1CCCC1C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H31N3O6/c1-13(2)12-16(24-19(26)15-8-5-4-6-9-15)18(22(30)31)23-14(3)20(27)25-11-7-10-17(25)21(28)29/h4-6,8-9,13-14,16-18,23H,7,10-12H2,1-3H3,(H,24,26)(H,28,29)(H,30,31)