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

Systemtic Name: (2S)-2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid Openeye Name: (2S)-3-(4-tert-butoxyphenyl)-2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[(2S)-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid IUPAC Name: (2S)-2-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid Traditional Name: (2S)-3-(4-tert-butoxyphenyl)-2-[[(2S)-1-(4-methoxyphenyl)sulfonylprolyl]amino]propionic acid Formula: C25H32N2O7S MolecularWeight: 504.59578

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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(C=C3)OC

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(C=C3)OC

InChI

InChI=1S/C25H32N2O7S/c1-25(2,3)34-19-9-7-17(8-10-19)16-21(24(29)30)26-23(28)22-6-5-15-27(22)35(31,32)20-13-11-18(33-4)12-14-20/h7-14,21-22H,5-6,15-16H2,1-4H3,(H,26,28)(H,29,30)/t21-,22-/m0/s1