3-azanyl-2-oxidanyl-5-(3-oxidanylidene-1H-2-benzofuran-1-yl)-5-propan-2-ylsulfanyl-pentanoic acid

Systemtic Name: 3-azanyl-2-oxidanyl-5-(3-oxidanylidene-1H-2-benzofuran-1-yl)-5-propan-2-ylsulfanyl-pentanoic acid Openeye Name: 3-amino-2-hydroxy-5-isopropylsulfanyl-5-(3-oxo-1H-isobenzofuran-1-yl)pentanoic acid CAS Name: 3-amino-2-hydroxy-5-(3-oxo-1H-isobenzofuran-1-yl)-5-(propan-2-ylthio)pentanoic acid IUPAC Name: 3-amino-2-hydroxy-5-(3-oxo-1H-2-benzofuran-1-yl)-5-propan-2-ylsulfanylpentanoic acid Traditional Name: 3-amino-2-hydroxy-5-(isopropylthio)-5-phthalidyl-valeric acid Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(CC(C(C(=O)O)O)N)C1C2=CC=CC=C2C(=O)O1

Isomeric SMILES

CC(C)SC(CC(C(C(=O)O)O)N)C1C2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C16H21NO5S/c1-8(2)23-12(7-11(17)13(18)15(19)20)14-9-5-3-4-6-10(9)16(21)22-14/h3-6,8,11-14,18H,7,17H2,1-2H3,(H,19,20)