5-(1-azanylisoquinolin-7-yl)oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Systemtic Name: 5-(1-azanylisoquinolin-7-yl)oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Openeye Name: 5-[(1-amino-7-isoquinolyl)oxy]-4-(tert-butoxycarbonylamino)pentanoic acid CAS Name: 5-[(1-amino-7-isoquinolinyl)oxy]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid IUPAC Name: 5-(1-aminoisoquinolin-7-yl)oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Traditional Name: 5-[(1-amino-7-isoquinolyl)oxy]-4-(tert-butoxycarbonylamino)valeric acid Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)O)COC1=CC2=C(C=C1)C=CN=C2N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC(=O)O)COC1=CC2=C(C=C1)C=CN=C2N

InChI

InChI=1S/C19H25N3O5/c1-19(2,3)27-18(25)22-13(5-7-16(23)24)11-26-14-6-4-12-8-9-21-17(20)15(12)10-14/h4,6,8-10,13H,5,7,11H2,1-3H3,(H2,20,21)(H,22,25)(H,23,24)