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

Systemtic Name: tert-butyl 1-[2,6-bis(azanyl)hexanoyl]-2-(2-methylpropylcarbamoyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-(2,6-diaminohexanoyl)-2-(isobutylcarbamoyl)pyrrolidine-2-carboxylate CAS Name: 1-(2,6-diamino-1-oxohexyl)-2-[(2-methylpropylamino)-oxomethyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2,6-diaminohexanoyl)-2-(2-methylpropylcarbamoyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2,6-diaminohexanoyl)-2-(isobutylcarbamoyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C20H38N4O4 MolecularWeight: 398.54012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1(CCCN1C(=O)C(CCCCN)N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CNC(=O)C1(CCCN1C(=O)C(CCCCN)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H38N4O4/c1-14(2)13-23-17(26)20(18(27)28-19(3,4)5)10-8-12-24(20)16(25)15(22)9-6-7-11-21/h14-15H,6-13,21-22H2,1-5H3,(H,23,26)