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

Systemtic Name: 2-(ethylsulfonylamino)-4-oxidanylidene-3-[2-(1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)ethanoylamino]pentanoic acid Openeye Name: 2-(ethylsulfonylamino)-4-oxo-3-[[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pentanoic acid CAS Name: 2-(ethylsulfonylamino)-4-oxo-3-[[1-oxo-2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]amino]pentanoic acid IUPAC Name: 2-(ethylsulfonylamino)-4-oxo-3-[[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pentanoic acid Traditional Name: 2-(esylamino)-4-keto-3-[[2-(1-keto-3,4-dihydroisoquinolin-2-yl)acetyl]amino]valeric acid Formula: C18H23N3O7S MolecularWeight: 425.45612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O7S/c1-3-29(27,28)20-16(18(25)26)15(11(2)22)19-14(23)10-21-9-8-12-6-4-5-7-13(12)17(21)24/h4-7,15-16,20H,3,8-10H2,1-2H3,(H,19,23)(H,25,26)