4-azanyl-2-(2-isoquinolin-5-yloxyethanoylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-(2-isoquinolin-5-yloxyethanoylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-(5-isoquinolyloxy)acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-(5-isoquinolinyloxy)-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(2-isoquinolin-5-yloxyacetyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-(5-isoquinolyloxy)acetyl]amino]-4-keto-butyric acid Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)OCC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)OCC(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C15H15N3O5/c16-13(19)6-11(15(21)22)18-14(20)8-23-12-3-1-2-9-7-17-5-4-10(9)12/h1-5,7,11H,6,8H2,(H2,16,19)(H,18,20)(H,21,22)