3-(4-carbamimidoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid hydroiodide

Systemtic Name: 3-(4-carbamimidoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid hydroiodide Openeye Name: 2-(tert-butoxycarbonylamino)-3-(4-carbamimidoylphenyl)propanoic acid hydroiodide CAS Name: 3-(4-carbamimidoylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid hydroiodide IUPAC Name: 3-(4-carbamimidoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid hydroiodide Traditional Name: 3-(4-amidinophenyl)-2-(tert-butoxycarbonylamino)propionic acid hydroiodide Formula: C15H22IN3O4 MolecularWeight: 435.25735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C(=N)N)C(=O)O.I

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C(=N)N)C(=O)O.I

InChI

InChI=1S/C15H21N3O4.HI/c1-15(2,3)22-14(21)18-11(13(19)20)8-9-4-6-10(7-5-9)12(16)17;/h4-7,11H,8H2,1-3H3,(H3,16,17)(H,18,21)(H,19,20);1H