(2S)-3-[4-[[3,5-bis(chloranyl)pyridin-4-yl]carbonylamino]phenyl]-2-[[(2S,3S)-3-(2,2-dimethylpropyl)-1-(3-methylsulfonylphenyl)sulfonyl-pyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-3-[4-[[3,5-bis(chloranyl)pyridin-4-yl]carbonylamino]phenyl]-2-[[(2S,3S)-3-(2,2-dimethylpropyl)-1-(3-methylsulfonylphenyl)sulfonyl-pyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[(2S,3S)-3-(2,2-dimethylpropyl)-1-(3-methylsulfonylphenyl)sulfonyl-pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: (2S)-3-[4-[[(3,5-dichloro-4-pyridinyl)-oxomethyl]amino]phenyl]-2-[[[(2S,3S)-3-(2,2-dimethylpropyl)-1-(3-methylsulfonylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[(2S,3S)-3-(2,2-dimethylpropyl)-1-(3-methylsulfonylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: (2S)-3-[4-[(3,5-dichloroisonicotinoyl)amino]phenyl]-2-[[(2S,3S)-1-(3-mesylphenyl)sulfonyl-3-neopentyl-prolyl]amino]propionic acid Formula: C32H36Cl2N4O8S2 MolecularWeight: 739.68624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1CCN(C1C(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=C(C=NC=C3Cl)Cl)C(=O)O)S(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C[C@H]1CCN([C@@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)NC(=O)C3=C(C=NC=C3Cl)Cl)C(=O)O)S(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)C

InChI

InChI=1S/C32H36Cl2N4O8S2/c1-32(2,3)16-20-12-13-38(48(45,46)23-7-5-6-22(15-23)47(4,43)44)28(20)30(40)37-26(31(41)42)14-19-8-10-21(11-9-19)36-29(39)27-24(33)17-35-18-25(27)34/h5-11,15,17-18,20,26,28H,12-14,16H2,1-4H3,(H,36,39)(H,37,40)(H,41,42)/t20-,26+,28+/m1/s1