(2S)-1-[(2S)-2-azanyl-3-methyl-butanoyl]-1-(4-methoxycarbonylphenyl)carbonyl-pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-azanyl-3-methyl-butanoyl]-1-(4-methoxycarbonylphenyl)carbonyl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-amino-3-methyl-butanoyl]-1-(4-methoxycarbonylbenzoyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-amino-3-methyl-1-oxobutyl]-1-[(4-methoxycarbonylphenyl)-oxomethyl]-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-1-(4-methoxycarbonylbenzoyl)pyrrolidin-1-ium-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-amino-3-methyl-butanoyl]-1-(4-carbomethoxybenzoyl)pyrrolidin-1-ium-2-carboxylic acid Formula: C19H25N2O6+ MolecularWeight: 377.4116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)[N+]1(CCC[C@H]1C(=O)O)C(=O)C2=CC=C(C=C2)C(=O)OC)N

InChI

InChI=1S/C19H24N2O6/c1-11(2)15(20)17(23)21(10-4-5-14(21)18(24)25)16(22)12-6-8-13(9-7-12)19(26)27-3/h6-9,11,14-15H,4-5,10,20H2,1-3H3/p+1/t14-,15-,21?/m0/s1