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

Systemtic Name: (2R)-2-acetamido-3-[[3,6-dimethoxy-7-methyl-1-oxidanyl-5,8-bis(oxidanylidene)naphthalen-2-yl]methylsulfanyl]propanoic acid Openeye Name: (2R)-2-acetamido-3-[(1-hydroxy-3,6-dimethoxy-7-methyl-5,8-dioxo-2-naphthyl)methylsulfanyl]propanoic acid CAS Name: (2R)-2-acetamido-3-[(1-hydroxy-3,6-dimethoxy-7-methyl-5,8-dioxo-2-naphthalenyl)methylthio]propanoic acid IUPAC Name: (2R)-2-acetamido-3-[(1-hydroxy-3,6-dimethoxy-7-methyl-5,8-dioxonaphthalen-2-yl)methylsulfanyl]propanoic acid Traditional Name: (2R)-2-acetamido-3-[(1-hydroxy-5,8-diketo-3,6-dimethoxy-7-methyl-2-naphthyl)methylthio]propionic acid Formula: C19H21NO8S MolecularWeight: 423.43694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC(=C(C(=C2C1=O)O)CSCC(C(=O)O)NC(=O)C)OC)OC

Isomeric SMILES

CC1=C(C(=O)C2=CC(=C(C(=C2C1=O)O)CSC[C@@H](C(=O)O)NC(=O)C)OC)OC

InChI

InChI=1S/C19H21NO8S/c1-8-15(22)14-10(17(24)18(8)28-4)5-13(27-3)11(16(14)23)6-29-7-12(19(25)26)20-9(2)21/h5,12,23H,6-7H2,1-4H3,(H,20,21)(H,25,26)/t12-/m0/s1