2-[benzamido(isoquinolin-6-yl)methyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioic acid

Systemtic Name: 2-[benzamido(isoquinolin-6-yl)methyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioic acid Openeye Name: 2-[benzamido(6-isoquinolyl)methyl]-2-(tert-butoxycarbonylamino)propanedioic acid CAS Name: 2-[benzamido(6-isoquinolinyl)methyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanedioic acid IUPAC Name: 2-[benzamido(isoquinolin-6-yl)methyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioic acid Traditional Name: 2-[benzamido(6-isoquinolyl)methyl]-2-(tert-butoxycarbonylamino)malonic acid Formula: C25H25N3O7 MolecularWeight: 479.4819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(C1=CC2=C(C=C1)C=NC=C2)NC(=O)C3=CC=CC=C3)(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C(C1=CC2=C(C=C1)C=NC=C2)NC(=O)C3=CC=CC=C3)(C(=O)O)C(=O)O

InChI

InChI=1S/C25H25N3O7/c1-24(2,3)35-23(34)28-25(21(30)31,22(32)33)19(27-20(29)15-7-5-4-6-8-15)17-9-10-18-14-26-12-11-16(18)13-17/h4-14,19H,1-3H3,(H,27,29)(H,28,34)(H,30,31)(H,32,33)