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

Systemtic Name: 3-[(4-bromophenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-[(4-bromophenyl)sulfonylamino]-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-[(4-bromophenyl)sulfonylamino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(brosylamino)-2-(tert-butoxycarbonylamino)propionic acid Formula: C14H19BrN2O6S MolecularWeight: 423.27946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O6S/c1-14(2,3)23-13(20)17-11(12(18)19)8-16-24(21,22)10-6-4-9(15)5-7-10/h4-7,11,16H,8H2,1-3H3,(H,17,20)(H,18,19)