(phenylmethyl) 1-[2,6-bis(azanyl)hexanoyl]-2-(2-methylpropylcarbamoyl)pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-[2,6-bis(azanyl)hexanoyl]-2-(2-methylpropylcarbamoyl)pyrrolidine-2-carboxylate Openeye Name: benzyl 1-(2,6-diaminohexanoyl)-2-(isobutylcarbamoyl)pyrrolidine-2-carboxylate CAS Name: 1-(2,6-diamino-1-oxohexyl)-2-[(2-methylpropylamino)-oxomethyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(2,6-diaminohexanoyl)-2-(2-methylpropylcarbamoyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2,6-diaminohexanoyl)-2-(isobutylcarbamoyl)pyrrolidine-2-carboxylic acid benzyl ester Formula: C23H36N4O4 MolecularWeight: 432.55634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1(CCCN1C(=O)C(CCCCN)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CNC(=O)C1(CCCN1C(=O)C(CCCCN)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H36N4O4/c1-17(2)15-26-21(29)23(22(30)31-16-18-9-4-3-5-10-18)12-8-14-27(23)20(28)19(25)11-6-7-13-24/h3-5,9-10,17,19H,6-8,11-16,24-25H2,1-2H3,(H,26,29)