1-(2-azanyl-3-methyl-butanoyl)-1-phenylmethoxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-(2-azanyl-3-methyl-butanoyl)-1-phenylmethoxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-(2-amino-3-methyl-butanoyl)-1-benzyloxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)-1-phenylmethoxycarbonyl-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(2-amino-3-methylbutanoyl)-1-phenylmethoxycarbonylpyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-(2-amino-3-methyl-butanoyl)-1-carbobenzoxy-pyrrolidin-1-ium-2-carboxylic acid Formula: C18H25N2O5+ MolecularWeight: 349.4015

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[N+]1(CCCC1C(=O)O)C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)C(C(=O)[N+]1(CCCC1C(=O)O)C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C18H24N2O5/c1-12(2)15(19)16(21)20(10-6-9-14(20)17(22)23)18(24)25-11-13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11,19H2,1-2H3/p+1