4-(isoquinolin-5-ylcarbamoylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(isoquinolin-5-ylcarbamoylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(5-isoquinolylcarbamoylamino)-4-oxo-butanoic acid CAS Name: 4-[[(5-isoquinolinylamino)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-(isoquinolin-5-ylcarbamoylamino)-4-oxobutanoic acid Traditional Name: 4-(5-isoquinolylcarbamoylamino)-4-keto-butyric acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)NC(=O)CCC(=O)O

InChI

InChI=1S/C14H13N3O4/c18-12(4-5-13(19)20)17-14(21)16-11-3-1-2-9-8-15-7-6-10(9)11/h1-3,6-8H,4-5H2,(H,19,20)(H2,16,17,18,21)