(2S)-1-[(3R)-3-azanyl-4-(2-fluorophenyl)butanoyl]-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(3R)-3-azanyl-4-(2-fluorophenyl)butanoyl]-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)-1-oxobutyl]-N-[(4-sulfamoylphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-(4-sulfamoylbenzyl)pyrrolidine-2-carboxamide Formula: C22H27FN4O4S MolecularWeight: 462.537583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC(CC2=CC=CC=C2F)N)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C[C@@H](CC2=CC=CC=C2F)N)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H27FN4O4S/c23-19-5-2-1-4-16(19)12-17(24)13-21(28)27-11-3-6-20(27)22(29)26-14-15-7-9-18(10-8-15)32(25,30)31/h1-2,4-5,7-10,17,20H,3,6,11-14,24H2,(H,26,29)(H2,25,30,31)/t17-,20+/m1/s1