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

Systemtic Name: 4-oxidanyl-3-[2-(1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)ethanoylamino]-5-(phenylsulfonylamino)pentanoic acid Openeye Name: 5-(benzenesulfonamido)-4-hydroxy-3-[[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pentanoic acid CAS Name: 5-(benzenesulfonamido)-4-hydroxy-3-[[1-oxo-2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]amino]pentanoic acid IUPAC Name: 5-(benzenesulfonamido)-4-hydroxy-3-[[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pentanoic acid Traditional Name: 5-(benzenesulfonamido)-4-hydroxy-3-[[2-(1-keto-3,4-dihydroisoquinolin-2-yl)acetyl]amino]valeric acid Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O7S/c26-19(13-23-33(31,32)16-7-2-1-3-8-16)18(12-21(28)29)24-20(27)14-25-11-10-15-6-4-5-9-17(15)22(25)30/h1-9,18-19,23,26H,10-14H2,(H,24,27)(H,28,29)