(2S)-2-[[(2S)-1-(3-fluorophenyl)sulfonyl-2-methyl-pyrrolidin-2-yl]carbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-(3-fluorophenyl)sulfonyl-2-methyl-pyrrolidin-2-yl]carbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid Openeye Name: (2S)-3-(4-tert-butoxyphenyl)-2-[[(2S)-1-(3-fluorophenyl)sulfonyl-2-methyl-pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[(2S)-1-(3-fluorophenyl)sulfonyl-2-methyl-2-pyrrolidinyl]-oxomethyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid IUPAC Name: (2S)-2-[[(2S)-1-(3-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid Traditional Name: (2S)-3-(4-tert-butoxyphenyl)-2-[[(2S)-1-(3-fluorophenyl)sulfonyl-2-methyl-prolyl]amino]propionic acid Formula: C25H31FN2O6S MolecularWeight: 506.586843

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN1S(=O)(=O)C2=CC=CC(=C2)F)C(=O)NC(CC3=CC=C(C=C3)OC(C)(C)C)C(=O)O

Isomeric SMILES

C[C@]1(CCCN1S(=O)(=O)C2=CC=CC(=C2)F)C(=O)N[C@@H](CC3=CC=C(C=C3)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C25H31FN2O6S/c1-24(2,3)34-19-11-9-17(10-12-19)15-21(22(29)30)27-23(31)25(4)13-6-14-28(25)35(32,33)20-8-5-7-18(26)16-20/h5,7-12,16,21H,6,13-15H2,1-4H3,(H,27,31)(H,29,30)/t21-,25-/m0/s1