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

Systemtic Name: (2S)-1-[(2S)-3-[4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-phenyl]carbonylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-3-[4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoyl]sulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-3-[[[4-chloro-2-(2-furanylmethylamino)-5-sulfamoylphenyl]-oxomethyl]thio]-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-3-[4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-3-[[4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoyl]thio]-2-methyl-propanoyl]proline Formula: C21H24ClN3O7S2 MolecularWeight: 530.01416

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC(=C(C=C1NCC2=CC=CO2)Cl)S(=O)(=O)N)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

C[C@H](CSC(=O)C1=CC(=C(C=C1NCC2=CC=CO2)Cl)S(=O)(=O)N)C(=O)N3CCC[C@H]3C(=O)O

InChI

InChI=1S/C21H24ClN3O7S2/c1-12(19(26)25-6-2-5-17(25)20(27)28)11-33-21(29)14-8-18(34(23,30)31)15(22)9-16(14)24-10-13-4-3-7-32-13/h3-4,7-9,12,17,24H,2,5-6,10-11H2,1H3,(H,27,28)(H2,23,30,31)/t12-,17+/m1/s1