(2S)-3-(4-fluorophenyl)-2-[[(2S)-5-[3-[[1-methyl-3-(trifluoromethyl)-2H-pyrazin-6-yl]carbonyl]thiophen-2-yl]sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-3-(4-fluorophenyl)-2-[[(2S)-5-[3-[[1-methyl-3-(trifluoromethyl)-2H-pyrazin-6-yl]carbonyl]thiophen-2-yl]sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: (2S)-3-(4-fluorophenyl)-2-[[(2S)-5-[[3-[1-methyl-3-(trifluoromethyl)-2H-pyrazine-6-carbonyl]-2-thienyl]sulfonyl]pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: (2S)-3-(4-fluorophenyl)-2-[[[(2S)-5-[[3-[[1-methyl-3-(trifluoromethyl)-2H-pyrazin-6-yl]-oxomethyl]-2-thiophenyl]sulfonyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(4-fluorophenyl)-2-[[(2S)-5-[3-[1-methyl-3-(trifluoromethyl)-2H-pyrazine-6-carbonyl]thiophen-2-yl]sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: (2S)-3-(4-fluorophenyl)-2-[[(2S)-5-[[3-[1-methyl-3-(trifluoromethyl)-2H-pyrazine-6-carbonyl]-2-thienyl]sulfonyl]prolyl]amino]propionic acid Formula: C25H24F4N4O6S2 MolecularWeight: 616.604873

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=NC=C1C(=O)C2=C(SC=C2)S(=O)(=O)C3CCC(N3)C(=O)NC(CC4=CC=C(C=C4)F)C(=O)O)C(F)(F)F

Isomeric SMILES

CN1CC(=NC=C1C(=O)C2=C(SC=C2)S(=O)(=O)C3CC[C@H](N3)C(=O)N[C@@H](CC4=CC=C(C=C4)F)C(=O)O)C(F)(F)F

InChI

InChI=1S/C25H24F4N4O6S2/c1-33-12-19(25(27,28)29)30-11-18(33)21(34)15-8-9-40-24(15)41(38,39)20-7-6-16(31-20)22(35)32-17(23(36)37)10-13-2-4-14(26)5-3-13/h2-5,8-9,11,16-17,20,31H,6-7,10,12H2,1H3,(H,32,35)(H,36,37)/t16-,17-,20?/m0/s1