(2R)-2-acetamido-3-[[7-(hydroxymethyl)-3,6-dimethoxy-1-oxidanyl-5,8-bis(oxidanylidene)naphthalen-2-yl]methylsulfanyl]propanoic acid

Systemtic Name: (2R)-2-acetamido-3-[[7-(hydroxymethyl)-3,6-dimethoxy-1-oxidanyl-5,8-bis(oxidanylidene)naphthalen-2-yl]methylsulfanyl]propanoic acid Openeye Name: (2R)-2-acetamido-3-[[1-hydroxy-7-(hydroxymethyl)-3,6-dimethoxy-5,8-dioxo-2-naphthyl]methylsulfanyl]propanoic acid CAS Name: (2R)-2-acetamido-3-[[1-hydroxy-7-(hydroxymethyl)-3,6-dimethoxy-5,8-dioxo-2-naphthalenyl]methylthio]propanoic acid IUPAC Name: (2R)-2-acetamido-3-[[1-hydroxy-7-(hydroxymethyl)-3,6-dimethoxy-5,8-dioxonaphthalen-2-yl]methylsulfanyl]propanoic acid Traditional Name: (2R)-2-acetamido-3-[(1-hydroxy-5,8-diketo-3,6-dimethoxy-7-methylol-2-naphthyl)methylthio]propionic acid Formula: C19H21NO9S MolecularWeight: 439.43634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSCC1=C(C=C2C(=C1O)C(=O)C(=C(C2=O)OC)CO)OC)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CSCC1=C(C=C2C(=C1O)C(=O)C(=C(C2=O)OC)CO)OC)C(=O)O

InChI

InChI=1S/C19H21NO9S/c1-8(22)20-12(19(26)27)7-30-6-11-13(28-2)4-9-14(16(11)24)15(23)10(5-21)18(29-3)17(9)25/h4,12,21,24H,5-7H2,1-3H3,(H,20,22)(H,26,27)/t12-/m0/s1