2-[(4-iodophenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 2-[(4-iodophenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(tert-butoxycarbonylamino)-2-[(4-iodophenyl)sulfonylamino]propanoic acid CAS Name: 2-[(4-iodophenyl)sulfonylamino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 2-[(4-iodophenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(tert-butoxycarbonylamino)-2-[(4-iodophenyl)sulfonylamino]propionic acid Formula: C14H19IN2O6S MolecularWeight: 470.27993

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)I

Isomeric SMILES

CC(C)(C)OC(=O)NCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)I

InChI

InChI=1S/C14H19IN2O6S/c1-14(2,3)23-13(20)16-8-11(12(18)19)17-24(21,22)10-6-4-9(15)5-7-10/h4-7,11,17H,8H2,1-3H3,(H,16,20)(H,18,19)