4-oxidanylidene-3-[2-(1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)ethanoylamino]-5-(phenethylsulfonylamino)pentanoic acid

Systemtic Name: 4-oxidanylidene-3-[2-(1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)ethanoylamino]-5-(phenethylsulfonylamino)pentanoic acid Openeye Name: 4-oxo-3-[[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)acetyl]amino]-5-(phenethylsulfonylamino)pentanoic acid CAS Name: 4-oxo-3-[[1-oxo-2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]amino]-5-(phenethylsulfonylamino)pentanoic acid IUPAC Name: 4-oxo-3-[[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)acetyl]amino]-5-(phenethylsulfonylamino)pentanoic acid Traditional Name: 4-keto-3-[[2-(1-keto-3,4-dihydroisoquinolin-2-yl)acetyl]amino]-5-(phenethylsulfonylamino)valeric acid Formula: C24H27N3O7S MolecularWeight: 501.55208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=CC=CC=C21)CC(=O)NC(CC(=O)O)C(=O)CNS(=O)(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(=O)C2=CC=CC=C21)CC(=O)NC(CC(=O)O)C(=O)CNS(=O)(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O7S/c28-21(15-25-35(33,34)13-11-17-6-2-1-3-7-17)20(14-23(30)31)26-22(29)16-27-12-10-18-8-4-5-9-19(18)24(27)32/h1-9,20,25H,10-16H2,(H,26,29)(H,30,31)