3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(3,5-dibromo-4-hydroxy-phenyl)propanoic acid CAS Name: 3-(3,5-dibromo-4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(3,5-dibromo-4-hydroxy-phenyl)propionic acid Formula: C14H17Br2NO5 MolecularWeight: 439.09648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17Br2NO5/c1-14(2,3)22-13(21)17-10(12(19)20)6-7-4-8(15)11(18)9(16)5-7/h4-5,10,18H,6H2,1-3H3,(H,17,21)(H,19,20)