N-(2-azanylethyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]-1-ethanoyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]-1-ethanoyl-pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-(2-aminoethyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-(2-aminoethyl)-4-[(3,3-dimethyl-1-oxobutyl)-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-(2-aminoethyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]pyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-(2-aminoethyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]pyrrolidine-2-carboxamide Formula: C23H36N4O3 MolecularWeight: 416.55694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)NCCN)N(CCC2=CC=CC=C2)C(=O)CC(C)(C)C

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)NCCN)N(CCC2=CC=CC=C2)C(=O)CC(C)(C)C

InChI

InChI=1S/C23H36N4O3/c1-17(28)27-16-19(14-20(27)22(30)25-12-11-24)26(21(29)15-23(2,3)4)13-10-18-8-6-5-7-9-18/h5-9,19-20H,10-16,24H2,1-4H3,(H,25,30)