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

Systemtic Name: (2R)-2-acetamido-3-[[3,6-dimethoxy-1-oxidanyl-5,8-bis(oxidanylidene)naphthalen-2-yl]methylsulfanyl]propanoic acid Openeye Name: (2R)-2-acetamido-3-[(1-hydroxy-3,6-dimethoxy-5,8-dioxo-2-naphthyl)methylsulfanyl]propanoic acid CAS Name: (2R)-2-acetamido-3-[(1-hydroxy-3,6-dimethoxy-5,8-dioxo-2-naphthalenyl)methylthio]propanoic acid IUPAC Name: (2R)-2-acetamido-3-[(1-hydroxy-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-2-naphthyl)methylthio]propionic acid Formula: C18H19NO8S MolecularWeight: 409.41036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO8S/c1-8(20)19-11(18(24)25)7-28-6-10-13(26-2)4-9-15(17(10)23)12(21)5-14(27-3)16(9)22/h4-5,11,23H,6-7H2,1-3H3,(H,19,20)(H,24,25)/t11-/m0/s1