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

Systemtic Name: (2S)-N-[2,3-bis[(2S)-2-azanyl-3-phenyl-propanoyl]-4-cyano-phenyl]carbonyl-N-methylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2,3-bis[(2S)-2-amino-3-phenyl-propanoyl]-4-cyano-benzoyl]-N-methylsulfonyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[[2,3-bis[(2S)-2-amino-1-oxo-3-phenylpropyl]-4-cyanophenyl]-oxomethyl]-N-methylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2,3-bis[(2S)-2-amino-3-phenylpropanoyl]-4-cyanobenzoyl]-N-methylsulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2,3-bis[(2S)-2-amino-3-phenyl-propanoyl]-4-cyano-benzoyl]-N-mesyl-pyrrolidine-2-carboxamide Formula: C32H33N5O6S MolecularWeight: 615.69932

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(C(=O)C1CCCN1)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

Isomeric SMILES

CS(=O)(=O)N(C(=O)[C@@H]1CCCN1)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

InChI

InChI=1S/C32H33N5O6S/c1-44(42,43)37(32(41)26-13-8-16-36-26)31(40)23-15-14-22(19-33)27(29(38)24(34)17-20-9-4-2-5-10-20)28(23)30(39)25(35)18-21-11-6-3-7-12-21/h2-7,9-12,14-15,24-26,36H,8,13,16-18,34-35H2,1H3/t24-,25-,26-/m0/s1