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

Systemtic Name: 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(4-methylsulfonyloxyphenyl)propanoic acid Openeye Name: 2-[(tert-butoxycarbonylamino)methyl]-3-(4-methylsulfonyloxyphenyl)propanoic acid CAS Name: 2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3-(4-methylsulfonyloxyphenyl)propanoic acid IUPAC Name: 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(4-methylsulfonyloxyphenyl)propanoic acid Traditional Name: 2-[(tert-butoxycarbonylamino)methyl]-3-(4-methylsulfonyloxyphenyl)propionic acid Formula: C16H23NO7S MolecularWeight: 373.42132

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO7S/c1-16(2,3)23-15(20)17-10-12(14(18)19)9-11-5-7-13(8-6-11)24-25(4,21)22/h5-8,12H,9-10H2,1-4H3,(H,17,20)(H,18,19)