tert-butyl 1-(2-azanyl-3-methyl-butanoyl)-2-[(4-chlorophenyl)sulfonylcarbamoyl]-1-(phenylcarbonyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: tert-butyl 1-(2-azanyl-3-methyl-butanoyl)-2-[(4-chlorophenyl)sulfonylcarbamoyl]-1-(phenylcarbonyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: tert-butyl 1-(2-amino-3-methyl-butanoyl)-1-benzoyl-2-[(4-chlorophenyl)sulfonylcarbamoyl]pyrrolidin-1-ium-2-carboxylate CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)-1-benzoyl-2-[[(4-chlorophenyl)sulfonylamino]-oxomethyl]-2-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-amino-3-methylbutanoyl)-1-benzoyl-2-[(4-chlorophenyl)sulfonylcarbamoyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: 1-(2-amino-3-methyl-butanoyl)-1-benzoyl-2-[(4-chlorophenyl)sulfonylcarbamoyl]pyrrolidin-1-ium-2-carboxylic acid tert-butyl ester Formula: C28H35ClN3O7S+ MolecularWeight: 593.1114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[N+]1(CCCC1(C(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OC(C)(C)C)C(=O)C3=CC=CC=C3)N

Isomeric SMILES

CC(C)C(C(=O)[N+]1(CCCC1(C(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OC(C)(C)C)C(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C28H34ClN3O7S/c1-18(2)22(30)24(34)32(23(33)19-10-7-6-8-11-19)17-9-16-28(32,26(36)39-27(3,4)5)25(35)31-40(37,38)21-14-12-20(29)13-15-21/h6-8,10-15,18,22H,9,16-17,30H2,1-5H3/p+1