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

Systemtic Name: (2R)-2-acetamido-3-[[3-methoxy-7-methyl-1-oxidanyl-5,8-bis(oxidanylidene)naphthalen-2-yl]methylsulfanyl]propanoic acid Openeye Name: (2R)-2-acetamido-3-[(1-hydroxy-3-methoxy-7-methyl-5,8-dioxo-2-naphthyl)methylsulfanyl]propanoic acid CAS Name: (2R)-2-acetamido-3-[(1-hydroxy-3-methoxy-7-methyl-5,8-dioxo-2-naphthalenyl)methylthio]propanoic acid IUPAC Name: (2R)-2-acetamido-3-[(1-hydroxy-3-methoxy-7-methyl-5,8-dioxonaphthalen-2-yl)methylsulfanyl]propanoic acid Traditional Name: (2R)-2-acetamido-3-[(1-hydroxy-5,8-diketo-3-methoxy-7-methyl-2-naphthyl)methylthio]propionic acid Formula: C18H19NO7S MolecularWeight: 393.41096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO7S/c1-8-4-13(21)10-5-14(26-3)11(17(23)15(10)16(8)22)6-27-7-12(18(24)25)19-9(2)20/h4-5,12,23H,6-7H2,1-3H3,(H,19,20)(H,24,25)/t12-/m0/s1