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

Systemtic Name: (phenylmethyl) (2S)-1-[(2S)-2-azanyl-3-methyl-butanoyl]-1-(4-methoxycarbonylphenyl)carbonyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: benzyl (2S)-1-[(2S)-2-amino-3-methyl-butanoyl]-1-(4-methoxycarbonylbenzoyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(2S)-2-amino-3-methyl-1-oxobutyl]-1-[(4-methoxycarbonylphenyl)-oxomethyl]-2-pyrrolidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-1-(4-methoxycarbonylbenzoyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-amino-3-methyl-butanoyl]-1-(4-carbomethoxybenzoyl)pyrrolidin-1-ium-2-carboxylic acid benzyl ester Formula: C26H31N2O6+ MolecularWeight: 467.53414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[N+]1(CCCC1C(=O)OCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(=O)OC)N

Isomeric SMILES

CC(C)[C@@H](C(=O)[N+]1(CCC[C@H]1C(=O)OCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(=O)OC)N

InChI

InChI=1S/C26H31N2O6/c1-17(2)22(27)24(30)28(23(29)19-11-13-20(14-12-19)25(31)33-3)15-7-10-21(28)26(32)34-16-18-8-5-4-6-9-18/h4-6,8-9,11-14,17,21-22H,7,10,15-16,27H2,1-3H3/q+1/t21-,22-,28?/m0/s1