3-(2,4-dimethyl-3-oxidanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(2,4-dimethyl-3-oxidanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(3-hydroxy-2,4-dimethyl-phenyl)propanoic acid CAS Name: 3-(3-hydroxy-2,4-dimethylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(3-hydroxy-2,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(3-hydroxy-2,4-dimethyl-phenyl)propionic acid Formula: C16H23NO5 MolecularWeight: 309.35752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)CC(C(=O)O)NC(=O)OC(C)(C)C)C)O

Isomeric SMILES

CC1=C(C(=C(C=C1)CC(C(=O)O)NC(=O)OC(C)(C)C)C)O

InChI

InChI=1S/C16H23NO5/c1-9-6-7-11(10(2)13(9)18)8-12(14(19)20)17-15(21)22-16(3,4)5/h6-7,12,18H,8H2,1-5H3,(H,17,21)(H,19,20)