(2S)-N-[2,3-bis[(2S)-2-azanyl-3-phenyl-propanoyl]-4-cyano-phenyl]carbonyl-N-sulfamoyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[2,3-bis[(2S)-2-azanyl-3-phenyl-propanoyl]-4-cyano-phenyl]carbonyl-N-sulfamoyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2,3-bis[(2S)-2-amino-3-phenyl-propanoyl]-4-cyano-benzoyl]-N-sulfamoyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[[2,3-bis[(2S)-2-amino-1-oxo-3-phenylpropyl]-4-cyanophenyl]-oxomethyl]-N-sulfamoyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2,3-bis[(2S)-2-amino-3-phenylpropanoyl]-4-cyanobenzoyl]-N-sulfamoylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2,3-bis[(2S)-2-amino-3-phenyl-propanoyl]-4-cyano-benzoyl]-N-sulfamoyl-pyrrolidine-2-carboxamide Formula: C31H32N6O6S MolecularWeight: 616.68738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N(C(=O)C2=C(C(=C(C=C2)C#N)C(=O)C(CC3=CC=CC=C3)N)C(=O)C(CC4=CC=CC=C4)N)S(=O)(=O)N

Isomeric SMILES

C1C[C@H](NC1)C(=O)N(C(=O)C2=C(C(=C(C=C2)C#N)C(=O)[C@H](CC3=CC=CC=C3)N)C(=O)[C@H](CC4=CC=CC=C4)N)S(=O)(=O)N

InChI

InChI=1S/C31H32N6O6S/c32-18-21-13-14-22(30(40)37(44(35,42)43)31(41)25-12-7-15-36-25)27(29(39)24(34)17-20-10-5-2-6-11-20)26(21)28(38)23(33)16-19-8-3-1-4-9-19/h1-6,8-11,13-14,23-25,36H,7,12,15-17,33-34H2,(H2,35,42,43)/t23-,24-,25-/m0/s1