(2R)-2-[[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-3-[4-[(4-chlorophenyl)carbonylamino]phenyl]propanoic acid

Systemtic Name: (2R)-2-[[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-3-[4-[(4-chlorophenyl)carbonylamino]phenyl]propanoic acid Openeye Name: (2R)-3-[4-[(4-chlorobenzoyl)amino]phenyl]-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: (2R)-3-[4-[[(4-chlorophenyl)-oxomethyl]amino]phenyl]-2-[[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2R)-3-[4-[(4-chlorobenzoyl)amino]phenyl]-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: (2R)-3-[4-[(4-chlorobenzoyl)amino]phenyl]-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylprolyl]amino]propionic acid Formula: C27H24Cl3N3O6S MolecularWeight: 624.91996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)N[C@H](CC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C27H24Cl3N3O6S/c28-18-7-5-17(6-8-18)25(34)31-21-9-3-16(4-10-21)12-23(27(36)37)32-26(35)24-2-1-11-33(24)40(38,39)22-14-19(29)13-20(30)15-22/h3-10,13-15,23-24H,1-2,11-12H2,(H,31,34)(H,32,35)(H,36,37)/t23-,24+/m1/s1