(2S)-N-[2,5-bis[(2S)-2-azanyl-3-phenyl-propanoyl]-4-cyano-3-nitro-phenyl]carbonyl-N-sulfamoyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[2,5-bis[(2S)-2-azanyl-3-phenyl-propanoyl]-4-cyano-3-nitro-phenyl]carbonyl-N-sulfamoyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2,5-bis[(2S)-2-amino-3-phenyl-propanoyl]-4-cyano-3-nitro-benzoyl]-N-sulfamoyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[[2,5-bis[(2S)-2-amino-1-oxo-3-phenylpropyl]-4-cyano-3-nitrophenyl]-oxomethyl]-N-sulfamoyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2,5-bis[(2S)-2-amino-3-phenylpropanoyl]-4-cyano-3-nitrobenzoyl]-N-sulfamoylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2,5-bis[(2S)-2-amino-3-phenyl-propanoyl]-4-cyano-3-nitro-benzoyl]-N-sulfamoyl-pyrrolidine-2-carboxamide Formula: C31H31N7O8S MolecularWeight: 661.68494

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N(C(=O)C2=C(C(=C(C(=C2)C(=O)C(CC3=CC=CC=C3)N)C#N)[N+](=O)[O-])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(=O)[C@H](CC3=CC=CC=C3)N)C#N)[N+](=O)[O-])C(=O)[C@H](CC4=CC=CC=C4)N)S(=O)(=O)N

InChI

InChI=1S/C31H31N7O8S/c32-17-22-20(28(39)23(33)14-18-8-3-1-4-9-18)16-21(30(41)37(47(35,45)46)31(42)25-12-7-13-36-25)26(27(22)38(43)44)29(40)24(34)15-19-10-5-2-6-11-19/h1-6,8-11,16,23-25,36H,7,12-15,33-34H2,(H2,35,45,46)/t23-,24-,25-/m0/s1