2-[(1-azanylisoquinolin-7-yl)carbonylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[(1-azanylisoquinolin-7-yl)carbonylamino]-3-methyl-pentanoic acid Openeye Name: 2-[(1-aminoisoquinoline-7-carbonyl)amino]-3-methyl-pentanoic acid CAS Name: 2-[[(1-amino-7-isoquinolinyl)-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[(1-aminoisoquinoline-7-carbonyl)amino]-3-methylpentanoic acid Traditional Name: 2-[(1-aminoisoquinoline-7-carbonyl)amino]-3-methyl-valeric acid Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=CC2=C(C=C1)C=CN=C2N

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C1=CC2=C(C=C1)C=CN=C2N

InChI

InChI=1S/C16H19N3O3/c1-3-9(2)13(16(21)22)19-15(20)11-5-4-10-6-7-18-14(17)12(10)8-11/h4-9,13H,3H2,1-2H3,(H2,17,18)(H,19,20)(H,21,22)