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

Systemtic Name: 3-[3,4-bis(oxidanyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(3,4-dihydroxyphenyl)-3-hydroxy-propanoic acid CAS Name: 3-(3,4-dihydroxyphenyl)-3-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(3,4-dihydroxyphenyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(3,4-dihydroxyphenyl)-3-hydroxy-propionic acid Formula: C14H19NO7 MolecularWeight: 313.30316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO7/c1-14(2,3)22-13(21)15-10(12(19)20)11(18)7-4-5-8(16)9(17)6-7/h4-6,10-11,16-18H,1-3H3,(H,15,21)(H,19,20)