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

Systemtic Name: (2S)-2-azanyl-3-[2-[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonyl-4-bromanyl-phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-bromo-2-[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-bromo-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-bromo-2-[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-bromo-2-[(2S)-1-(3,5-dichlorophenyl)sulfonylprolyl]phenyl]propionic acid Formula: C20H19BrCl2N2O5S MolecularWeight: 550.25026

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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)Br)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)Br)C[C@@H](C(=O)O)N

InChI

InChI=1S/C20H19BrCl2N2O5S/c21-12-4-3-11(6-17(24)20(27)28)16(7-12)19(26)18-2-1-5-25(18)31(29,30)15-9-13(22)8-14(23)10-15/h3-4,7-10,17-18H,1-2,5-6,24H2,(H,27,28)/t17-,18-/m0/s1