(2R)-1-[(2S)-3-methyl-2-[methyl-(phenylmethyl)azaniumyl]butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2R)-1-[(2S)-3-methyl-2-[methyl-(phenylmethyl)azaniumyl]butanoyl]pyrrolidine-2-carboxylate Openeye Name: (2R)-1-[(2S)-2-[benzyl(methyl)ammonio]-3-methyl-butanoyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[(2S)-3-methyl-2-[methyl-(phenylmethyl)ammonio]-1-oxobutyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R)-1-[(2S)-2-[benzyl(methyl)azaniumyl]-3-methylbutanoyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[(2S)-2-[benzyl(methyl)ammonio]-3-methyl-butanoyl]pyrrolidine-2-carboxylate Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)[O-])[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@@H]1C(=O)[O-])[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C18H26N2O3/c1-13(2)16(19(3)12-14-8-5-4-6-9-14)17(21)20-11-7-10-15(20)18(22)23/h4-6,8-9,13,15-16H,7,10-12H2,1-3H3,(H,22,23)/t15-,16+/m1/s1