(2S)-1-[(2S)-3-(2-azanyl-4-chloranyl-5-sulfamoyl-phenyl)carbonylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-3-(2-azanyl-4-chloranyl-5-sulfamoyl-phenyl)carbonylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-3-(2-amino-4-chloro-5-sulfamoyl-benzoyl)sulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-3-[[(2-amino-4-chloro-5-sulfamoylphenyl)-oxomethyl]thio]-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-3-(2-amino-4-chloro-5-sulfamoylbenzoyl)sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-3-[(2-amino-4-chloro-5-sulfamoyl-benzoyl)thio]-2-methyl-propanoyl]proline Formula: C16H20ClN3O6S2 MolecularWeight: 449.9295

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC(=C(C=C1N)Cl)S(=O)(=O)N)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

C[C@H](CSC(=O)C1=CC(=C(C=C1N)Cl)S(=O)(=O)N)C(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C16H20ClN3O6S2/c1-8(14(21)20-4-2-3-12(20)15(22)23)7-27-16(24)9-5-13(28(19,25)26)10(17)6-11(9)18/h5-6,8,12H,2-4,7,18H2,1H3,(H,22,23)(H2,19,25,26)/t8-,12+/m1/s1