4-oxidanyl-3-[2-(1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)ethanoylamino]pentanoic acid

Systemtic Name: 4-oxidanyl-3-[2-(1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)ethanoylamino]pentanoic acid Openeye Name: 4-hydroxy-3-[[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pentanoic acid CAS Name: 4-hydroxy-3-[[1-oxo-2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]amino]pentanoic acid IUPAC Name: 4-hydroxy-3-[[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pentanoic acid Traditional Name: 4-hydroxy-3-[[2-(1-keto-3,4-dihydroisoquinolin-2-yl)acetyl]amino]valeric acid Formula: C16H20N2O5 MolecularWeight: 320.3404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC(=O)O)NC(=O)CN1CCC2=CC=CC=C2C1=O)O

Isomeric SMILES

CC(C(CC(=O)O)NC(=O)CN1CCC2=CC=CC=C2C1=O)O

InChI

InChI=1S/C16H20N2O5/c1-10(19)13(8-15(21)22)17-14(20)9-18-7-6-11-4-2-3-5-12(11)16(18)23/h2-5,10,13,19H,6-9H2,1H3,(H,17,20)(H,21,22)