2-[(2-isoquinolin-3-yl-2-oxidanylidene-ethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethanoic acid

Systemtic Name: 2-[(2-isoquinolin-3-yl-2-oxidanylidene-ethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethanoic acid Openeye Name: 2-[tert-butoxycarbonyl-[2-(3-isoquinolyl)-2-oxo-ethyl]amino]acetic acid CAS Name: 2-[[2-(3-isoquinolinyl)-2-oxoethyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid IUPAC Name: 2-[(2-isoquinolin-3-yl-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid Traditional Name: 2-[tert-butoxycarbonyl-[2-(3-isoquinolyl)-2-keto-ethyl]amino]acetic acid Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC(=O)C1=CC2=CC=CC=C2C=N1)CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N(CC(=O)C1=CC2=CC=CC=C2C=N1)CC(=O)O

InChI

InChI=1S/C18H20N2O5/c1-18(2,3)25-17(24)20(11-16(22)23)10-15(21)14-8-12-6-4-5-7-13(12)9-19-14/h4-9H,10-11H2,1-3H3,(H,22,23)