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

Systemtic Name: (2S)-2-[[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid Openeye Name: (2S)-3-(4-tert-butoxyphenyl)-2-[[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[(2S)-1-[(1-methyl-4-imidazolyl)sulfonyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid IUPAC Name: (2S)-2-[[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carbonyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid Traditional Name: (2S)-3-(4-tert-butoxyphenyl)-2-[[(2S)-1-(1-methylimidazol-4-yl)sulfonylprolyl]amino]propionic acid Formula: C22H30N4O6S MolecularWeight: 478.5618

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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=CN(C=N3)C

Isomeric SMILES

CC(C)(C)OC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CN(C=N3)C

InChI

InChI=1S/C22H30N4O6S/c1-22(2,3)32-16-9-7-15(8-10-16)12-17(21(28)29)24-20(27)18-6-5-11-26(18)33(30,31)19-13-25(4)14-23-19/h7-10,13-14,17-18H,5-6,11-12H2,1-4H3,(H,24,27)(H,28,29)/t17-,18-/m0/s1