3-[2-(isoquinolin-5-ylamino)propanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[2-(isoquinolin-5-ylamino)propanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[2-(5-isoquinolylamino)propanoylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-(5-isoquinolinylamino)-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[2-(isoquinolin-5-ylamino)propanoylamino]-4-oxobutanoic acid Traditional Name: 3-[2-(5-isoquinolylamino)propanoylamino]-4-keto-butyric acid Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)O)C=O)NC1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CC(C(=O)NC(CC(=O)O)C=O)NC1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C16H17N3O4/c1-10(16(23)19-12(9-20)7-15(21)22)18-14-4-2-3-11-8-17-6-5-13(11)14/h2-6,8-10,12,18H,7H2,1H3,(H,19,23)(H,21,22)