1-(2-aminocarbonyl-2H-1,3-benzothiazol-3-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-(2-aminocarbonyl-2H-1,3-benzothiazol-3-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-1-(2-carbamoyl-2H-1,3-benzothiazol-3-yl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-(2-carbamoyl-2H-1,3-benzothiazol-3-yl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(2-carbamoyl-2H-1,3-benzothiazol-3-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-1-(2-carbamoyl-2H-1,3-benzothiazol-3-yl)pyrrolidin-1-ium-2-carboxylic acid Formula: C18H24N3O5S+ MolecularWeight: 394.46526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCC1C(=O)O)N2C(SC3=CC=CC=C32)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCC1C(=O)O)N2C(SC3=CC=CC=C32)C(=O)N

InChI

InChI=1S/C18H23N3O5S/c1-18(2,3)26-17(25)21(10-6-8-12(21)16(23)24)20-11-7-4-5-9-13(11)27-15(20)14(19)22/h4-5,7,9,12,15H,6,8,10H2,1-3H3,(H2-,19,22,23,24)/p+1