(2S)-2-azanyl-3-[2-[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonyl-4-cyano-phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[2-[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonyl-4-cyano-phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-cyano-2-[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-cyano-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-cyano-2-[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-cyano-2-[(2S)-1-(3,5-dichlorophenyl)sulfonylprolyl]phenyl]propionic acid Formula: C21H19Cl2N3O5S MolecularWeight: 496.36366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)C3=C(C=CC(=C3)C#N)CC(C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H19Cl2N3O5S/c22-14-8-15(23)10-16(9-14)32(30,31)26-5-1-2-19(26)20(27)17-6-12(11-24)3-4-13(17)7-18(25)21(28)29/h3-4,6,8-10,18-19H,1-2,5,7,25H2,(H,28,29)/t18-,19-/m0/s1