3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(4-methylsulfonyloxyphenyl)butanoic acid

Systemtic Name: 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(4-methylsulfonyloxyphenyl)butanoic acid Openeye Name: 3-[(tert-butoxycarbonylamino)methyl]-4-(4-methylsulfonyloxyphenyl)butanoic acid CAS Name: 3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-4-(4-methylsulfonyloxyphenyl)butanoic acid IUPAC Name: 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(4-methylsulfonyloxyphenyl)butanoic acid Traditional Name: 3-[(tert-butoxycarbonylamino)methyl]-4-(4-methylsulfonyloxyphenyl)butyric acid Formula: C17H25NO7S MolecularWeight: 387.4479

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(CC1=CC=C(C=C1)OS(=O)(=O)C)CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC(CC1=CC=C(C=C1)OS(=O)(=O)C)CC(=O)O

InChI

InChI=1S/C17H25NO7S/c1-17(2,3)24-16(21)18-11-13(10-15(19)20)9-12-5-7-14(8-6-12)25-26(4,22)23/h5-8,13H,9-11H2,1-4H3,(H,18,21)(H,19,20)