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

Systemtic Name: (2S)-N-[2,3-bis[(2S)-2-azanyl-3-phenyl-propanoyl]-4-cyano-phenyl]carbonyl-N-phenyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2,3-bis[(2S)-2-amino-3-phenyl-propanoyl]-4-cyano-benzoyl]-N-phenyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[[2,3-bis[(2S)-2-amino-1-oxo-3-phenylpropyl]-4-cyanophenyl]-oxomethyl]-N-phenyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2,3-bis[(2S)-2-amino-3-phenylpropanoyl]-4-cyanobenzoyl]-N-phenylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2,3-bis[(2S)-2-amino-3-phenyl-propanoyl]-4-cyano-benzoyl]-N-phenyl-pyrrolidine-2-carboxamide Formula: C37H35N5O4 MolecularWeight: 613.7049

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N(C2=CC=CC=C2)C(=O)C3=C(C(=C(C=C3)C#N)C(=O)C(CC4=CC=CC=C4)N)C(=O)C(CC5=CC=CC=C5)N

Isomeric SMILES

C1C[C@H](NC1)C(=O)N(C2=CC=CC=C2)C(=O)C3=C(C(=C(C=C3)C#N)C(=O)[C@H](CC4=CC=CC=C4)N)C(=O)[C@H](CC5=CC=CC=C5)N

InChI

InChI=1S/C37H35N5O4/c38-23-26-18-19-28(36(45)42(27-15-8-3-9-16-27)37(46)31-17-10-20-41-31)33(35(44)30(40)22-25-13-6-2-7-14-25)32(26)34(43)29(39)21-24-11-4-1-5-12-24/h1-9,11-16,18-19,29-31,41H,10,17,20-22,39-40H2/t29-,30-,31-/m0/s1