(2S)-1-[2-[ethyl-(phenylmethyl)azaniumyl]-2-methyl-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[2-[ethyl-(phenylmethyl)azaniumyl]-2-methyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[2-[benzyl(ethyl)ammonio]-2-methyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2-[ethyl-(phenylmethyl)ammonio]-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[2-[benzyl(ethyl)azaniumyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-[benzyl(ethyl)ammonio]-2-methyl-propanoyl]pyrrolidine-2-carboxylate Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)C(C)(C)C(=O)N2CCCC2C(=O)[O-]

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)C(C)(C)C(=O)N2CCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C18H26N2O3/c1-4-19(13-14-9-6-5-7-10-14)18(2,3)17(23)20-12-8-11-15(20)16(21)22/h5-7,9-10,15H,4,8,11-13H2,1-3H3,(H,21,22)/t15-/m0/s1