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

Systemtic Name: 3-(3-ethanoyl-4-oxidanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(3-acetyl-4-hydroxy-phenyl)-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-(3-acetyl-4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(3-acetyl-4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(3-acetyl-4-hydroxy-phenyl)-2-(tert-butoxycarbonylamino)propionic acid Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO6/c1-9(18)11-7-10(5-6-13(11)19)8-12(14(20)21)17-15(22)23-16(2,3)4/h5-7,12,19H,8H2,1-4H3,(H,17,22)(H,20,21)