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

Systemtic Name: 4-oxidanylidene-3-[2-(1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)ethanoylamino]-5-[(phenylmethyl)sulfonylamino]pentanoic acid Openeye Name: 5-(benzylsulfonylamino)-4-oxo-3-[[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pentanoic acid CAS Name: 4-oxo-3-[[1-oxo-2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]amino]-5-[(phenylmethyl)sulfonylamino]pentanoic acid IUPAC Name: 5-(benzylsulfonylamino)-4-oxo-3-[[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pentanoic acid Traditional Name: 5-(benzylsulfonylamino)-4-keto-3-[[2-(1-keto-3,4-dihydroisoquinolin-2-yl)acetyl]amino]valeric acid Formula: C23H25N3O7S MolecularWeight: 487.5255

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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)CC3=CC=CC=C3

Isomeric SMILES

C1CN(C(=O)C2=CC=CC=C21)CC(=O)NC(CC(=O)O)C(=O)CNS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O7S/c27-20(13-24-34(32,33)15-16-6-2-1-3-7-16)19(12-22(29)30)25-21(28)14-26-11-10-17-8-4-5-9-18(17)23(26)31/h1-9,19,24H,10-15H2,(H,25,28)(H,29,30)