tert-butyl 2-aminocarbonyl-1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 2-aminocarbonyl-1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(2-amino-3-phenyl-propanoyl)-2-carbamoyl-pyrrolidin-1-ium-1-carboxylate CAS Name: 1-(2-amino-1-oxo-3-phenylpropyl)-2-carbamoyl-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-amino-3-phenylpropanoyl)-2-carbamoylpyrrolidin-1-ium-1-carboxylate Traditional Name: 2-carbamoyl-1-phenylalanyl-pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCC1C(=O)N)C(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCC1C(=O)N)C(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C19H27N3O4/c1-19(2,3)26-18(25)22(11-7-10-15(22)16(21)23)17(24)14(20)12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,7,10-12,20H2,1-3H3,(H-,21,23)/p+1