(2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[[(2S)-1-[5-[4-(trifluoromethyl)phenyl]sulfonylthiophen-2-yl]sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[[(2S)-1-[5-[4-(trifluoromethyl)phenyl]sulfonylthiophen-2-yl]sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: (2S)-3-(4-tert-butoxyphenyl)-2-[[(2S)-1-[[5-[4-(trifluoromethyl)phenyl]sulfonyl-2-thienyl]sulfonyl]pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: (2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[[oxo-[(2S)-1-[[5-[4-(trifluoromethyl)phenyl]sulfonyl-2-thiophenyl]sulfonyl]-2-pyrrolidinyl]methyl]amino]propanoic acid IUPAC Name: (2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[[(2S)-1-[5-[4-(trifluoromethyl)phenyl]sulfonylthiophen-2-yl]sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: (2S)-3-(4-tert-butoxyphenyl)-2-[[(2S)-1-[[5-[4-(trifluoromethyl)phenyl]sulfonyl-2-thienyl]sulfonyl]prolyl]amino]propionic acid Formula: C29H31F3N2O8S3 MolecularWeight: 688.75525

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(S3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(S3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C29H31F3N2O8S3/c1-28(2,3)42-20-10-6-18(7-11-20)17-22(27(36)37)33-26(35)23-5-4-16-34(23)45(40,41)25-15-14-24(43-25)44(38,39)21-12-8-19(9-13-21)29(30,31)32/h6-15,22-23H,4-5,16-17H2,1-3H3,(H,33,35)(H,36,37)/t22-,23-/m0/s1