3-[3,4-bis(oxidanyl)phenyl]-2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]propanoic acid

Systemtic Name: 3-[3,4-bis(oxidanyl)phenyl]-2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]propanoic acid Openeye Name: 2-[(3-acetylsulfanyl-2-methyl-propanoyl)amino]-3-(3,4-dihydroxyphenyl)propanoic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-1-oxopropyl]amino]-3-(3,4-dihydroxyphenyl)propanoic acid IUPAC Name: 2-[(3-acetylsulfanyl-2-methylpropanoyl)amino]-3-(3,4-dihydroxyphenyl)propanoic acid Traditional Name: 2-[[3-(acetylthio)-2-methyl-propanoyl]amino]-3-(3,4-dihydroxyphenyl)propionic acid Formula: C15H19NO6S MolecularWeight: 341.37946

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)NC(CC1=CC(=C(C=C1)O)O)C(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)NC(CC1=CC(=C(C=C1)O)O)C(=O)O

InChI

InChI=1S/C15H19NO6S/c1-8(7-23-9(2)17)14(20)16-11(15(21)22)5-10-3-4-12(18)13(19)6-10/h3-4,6,8,11,18-19H,5,7H2,1-2H3,(H,16,20)(H,21,22)