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

Systemtic Name: tert-butyl (2S)-2-aminocarbonyl-1-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl (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 tert-butyl ester IUPAC Name: tert-butyl (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 tert-butyl ester Formula: C16H26N5O4+ MolecularWeight: 352.40874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCC1C(=O)N)C(=O)C(CC2=CN=CN2)N

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC[C@H]1C(=O)N)C(=O)[C@H](CC2=CN=CN2)N

InChI

InChI=1S/C16H25N5O4/c1-16(2,3)25-15(24)21(6-4-5-12(21)13(18)22)14(23)11(17)7-10-8-19-9-20-10/h8-9,11-12H,4-7,17H2,1-3H3,(H2-,18,19,20,22)/p+1/t11-,12-,21?/m0/s1