(2S)-1-[(2R)-2-azanyl-3,3-diphenyl-propanoyl]-N-[(4-cyanothiophen-2-yl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2R)-2-azanyl-3,3-diphenyl-propanoyl]-N-[(4-cyanothiophen-2-yl)methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2R)-2-amino-3,3-diphenyl-propanoyl]-N-[(4-cyano-2-thienyl)methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2R)-2-amino-1-oxo-3,3-diphenylpropyl]-N-[(4-cyano-2-thiophenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(4-cyanothiophen-2-yl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2R)-2-amino-3,3-diphenyl-propanoyl]-N-[(4-cyano-2-thienyl)methyl]pyrrolidine-2-carboxamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(C(C2=CC=CC=C2)C3=CC=CC=C3)N)C(=O)NCC4=CC(=CS4)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H](C(C2=CC=CC=C2)C3=CC=CC=C3)N)C(=O)NCC4=CC(=CS4)C#N

InChI

InChI=1S/C26H26N4O2S/c27-15-18-14-21(33-17-18)16-29-25(31)22-12-7-13-30(22)26(32)24(28)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,14,17,22-24H,7,12-13,16,28H2,(H,29,31)/t22-,24+/m0/s1