(2R)-2-acetamido-3-[6-[(Z)-2-acetamido-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid

Systemtic Name: (2R)-2-acetamido-3-[6-[(Z)-2-acetamido-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid Openeye Name: (2R)-2-acetamido-3-[6-[(Z)-2-acetamido-3-hydroxy-3-oxo-prop-1-enyl]-2,3-dihydroxy-phenyl]sulfanyl-propanoic acid CAS Name: (2R)-2-acetamido-3-[[6-[(Z)-2-acetamido-3-hydroxy-3-oxoprop-1-enyl]-2,3-dihydroxyphenyl]thio]propanoic acid IUPAC Name: (2R)-2-acetamido-3-[6-[(Z)-2-acetamido-3-hydroxy-3-oxoprop-1-enyl]-2,3-dihydroxyphenyl]sulfanylpropanoic acid Traditional Name: (2R)-2-acetamido-3-[[6-[(Z)-2-acetamido-3-hydroxy-3-keto-prop-1-enyl]-2,3-dihydroxy-phenyl]thio]propionic acid Formula: C16H18N2O8S MolecularWeight: 398.38772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=C(C=CC(=C1O)O)C=C(C(=O)O)NC(=O)C)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CSC1=C(C=CC(=C1O)O)/C=C(/C(=O)O)\NC(=O)C)C(=O)O

InChI

InChI=1S/C16H18N2O8S/c1-7(19)17-10(15(23)24)5-9-3-4-12(21)13(22)14(9)27-6-11(16(25)26)18-8(2)20/h3-5,11,21-22H,6H2,1-2H3,(H,17,19)(H,18,20)(H,23,24)(H,25,26)/b10-5-/t11-/m0/s1