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

Systemtic Name: (2S)-2-[[(2S)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid Openeye Name: (2S)-2-[[(2S)-1-(3-bromophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-tert-butoxyphenyl)propanoic acid CAS Name: (2S)-2-[[[(2S)-1-(3-bromophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid IUPAC Name: (2S)-2-[[(2S)-1-(3-bromophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid Traditional Name: (2S)-2-[[(2S)-1-(3-bromophenyl)sulfonylprolyl]amino]-3-(4-tert-butoxyphenyl)propionic acid Formula: C24H29BrN2O6S MolecularWeight: 553.46586

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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(=CC=C3)Br

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(=CC=C3)Br

InChI

InChI=1S/C24H29BrN2O6S/c1-24(2,3)33-18-11-9-16(10-12-18)14-20(23(29)30)26-22(28)21-8-5-13-27(21)34(31,32)19-7-4-6-17(25)15-19/h4,6-7,9-12,15,20-21H,5,8,13-14H2,1-3H3,(H,26,28)(H,29,30)/t20-,21-/m0/s1