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

Systemtic Name: (2R)-2-acetamido-3-[[7-(hydroxymethyl)-3-methoxy-1-oxidanyl-5,8-bis(oxidanylidene)naphthalen-2-yl]methylsulfanyl]propanoic acid Openeye Name: (2R)-2-acetamido-3-[[1-hydroxy-7-(hydroxymethyl)-3-methoxy-5,8-dioxo-2-naphthyl]methylsulfanyl]propanoic acid CAS Name: (2R)-2-acetamido-3-[[1-hydroxy-7-(hydroxymethyl)-3-methoxy-5,8-dioxo-2-naphthalenyl]methylthio]propanoic acid IUPAC Name: (2R)-2-acetamido-3-[[1-hydroxy-7-(hydroxymethyl)-3-methoxy-5,8-dioxonaphthalen-2-yl]methylsulfanyl]propanoic acid Traditional Name: (2R)-2-acetamido-3-[(1-hydroxy-5,8-diketo-3-methoxy-7-methylol-2-naphthyl)methylthio]propionic acid Formula: C18H19NO8S MolecularWeight: 409.41036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO8S/c1-8(21)19-12(18(25)26)7-28-6-11-14(27-2)4-10-13(22)3-9(5-20)16(23)15(10)17(11)24/h3-4,12,20,24H,5-7H2,1-2H3,(H,19,21)(H,25,26)/t12-/m0/s1