4,5-bis[(2S)-2-azanyl-3-phenyl-propanoyl]-6-cyano-3-methyl-N-[(2S)-pyrrolidin-2-yl]carbonyl-N-sulfamoyl-pyridine-2-carboxamide

Systemtic Name: 4,5-bis[(2S)-2-azanyl-3-phenyl-propanoyl]-6-cyano-3-methyl-N-[(2S)-pyrrolidin-2-yl]carbonyl-N-sulfamoyl-pyridine-2-carboxamide Openeye Name: 4,5-bis[(2S)-2-amino-3-phenyl-propanoyl]-6-cyano-3-methyl-N-[(2S)-pyrrolidine-2-carbonyl]-N-sulfamoyl-pyridine-2-carboxamide CAS Name: 4,5-bis[(2S)-2-amino-1-oxo-3-phenylpropyl]-6-cyano-3-methyl-N-[oxo-[(2S)-2-pyrrolidinyl]methyl]-N-sulfamoyl-2-pyridinecarboxamide IUPAC Name: 4,5-bis[(2S)-2-amino-3-phenylpropanoyl]-6-cyano-3-methyl-N-[(2S)-pyrrolidine-2-carbonyl]-N-sulfamoylpyridine-2-carboxamide Traditional Name: 4,5-bis[(2S)-2-amino-3-phenyl-propanoyl]-6-cyano-3-methyl-N-[(2S)-prolyl]-N-sulfamoyl-picolinamide Formula: C31H33N7O6S MolecularWeight: 631.70202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N=C1C(=O)N(C(=O)C2CCCN2)S(=O)(=O)N)C#N)C(=O)C(CC3=CC=CC=C3)N)C(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

CC1=C(C(=C(N=C1C(=O)N(C(=O)[C@@H]2CCCN2)S(=O)(=O)N)C#N)C(=O)[C@H](CC3=CC=CC=C3)N)C(=O)[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C31H33N7O6S/c1-18-25(28(39)21(33)15-19-9-4-2-5-10-19)26(29(40)22(34)16-20-11-6-3-7-12-20)24(17-32)37-27(18)31(42)38(45(35,43)44)30(41)23-13-8-14-36-23/h2-7,9-12,21-23,36H,8,13-16,33-34H2,1H3,(H2,35,43,44)/t21-,22-,23-/m0/s1