3-[2-(isoquinolin-5-ylsulfonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

Systemtic Name: 3-[2-(isoquinolin-5-ylsulfonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid Openeye Name: 3-[tert-butoxycarbonyl-[2-(5-isoquinolylsulfonylamino)ethyl]amino]propanoic acid CAS Name: 3-[2-(5-isoquinolinylsulfonylamino)ethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[2-(isoquinolin-5-ylsulfonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid Traditional Name: 3-[tert-butoxycarbonyl-[2-(5-isoquinolylsulfonylamino)ethyl]amino]propionic acid Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCC(=O)O)CCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CC(C)(C)OC(=O)N(CCC(=O)O)CCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C19H25N3O6S/c1-19(2,3)28-18(25)22(11-8-17(23)24)12-10-21-29(26,27)16-6-4-5-14-13-20-9-7-15(14)16/h4-7,9,13,21H,8,10-12H2,1-3H3,(H,23,24)