3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]propanoic acid

Systemtic Name: 3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]propanoic acid Openeye Name: 3-[3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]propanoic acid CAS Name: 3-[3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]propanoic acid IUPAC Name: 3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]propanoic acid Traditional Name: 3-[3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]propionic acid Formula: C28H34N2O5 MolecularWeight: 478.57996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)CCC(=O)O)C3=CC=CC=C3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)CCC(=O)O)C3=CC=CC=C3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C28H34N2O5/c1-18(2)17-30-23(16-29-27(34)35-28(3,4)5)25(20-9-7-6-8-10-20)22-15-19(12-14-24(31)32)11-13-21(22)26(30)33/h6-11,13,15,18H,12,14,16-17H2,1-5H3,(H,29,34)(H,31,32)