(2S)-1-[(2S)-2-azanylbutanoyl]-N-butyl-4-(phenylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-azanylbutanoyl]-N-butyl-4-(phenylmethyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-aminobutanoyl]-4-benzyl-N-butyl-pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-amino-1-oxobutyl]-N-butyl-4-(phenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-aminobutanoyl]-4-benzyl-N-butylpyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-aminobutanoyl]-4-benzyl-N-butyl-pyrrolidine-2-carboxamide Formula: C20H31N3O2 MolecularWeight: 345.47904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1CC(CN1C(=O)C(CC)N)CC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)[C@@H]1CC(CN1C(=O)[C@H](CC)N)CC2=CC=CC=C2

InChI

InChI=1S/C20H31N3O2/c1-3-5-11-22-19(24)18-13-16(12-15-9-7-6-8-10-15)14-23(18)20(25)17(21)4-2/h6-10,16-18H,3-5,11-14,21H2,1-2H3,(H,22,24)/t16?,17-,18-/m0/s1