(phenylmethyl) (2S)-2-aminocarbonyl-1-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-aminocarbonyl-1-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-1-ium-1-carboxylate Openeye Name: benzyl (2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-carbamoyl-pyrrolidin-1-ium-1-carboxylate CAS Name: (2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-carbamoyl-1-pyrrolidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-carbamoylpyrrolidin-1-ium-1-carboxylate Traditional Name: (2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-carbamoyl-pyrrolidin-1-ium-1-carboxylic acid benzyl ester Formula: C19H24N5O4+ MolecularWeight: 386.42496

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(C(=O)C(CC2=CN=CN2)N)C(=O)OCC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1C[C@H]([N+](C1)(C(=O)[C@H](CC2=CN=CN2)N)C(=O)OCC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C19H23N5O4/c20-15(9-14-10-22-12-23-14)18(26)24(8-4-7-16(24)17(21)25)19(27)28-11-13-5-2-1-3-6-13/h1-3,5-6,10,12,15-16H,4,7-9,11,20H2,(H2-,21,22,23,25)/p+1/t15-,16-,24?/m0/s1