3-azanyl-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-ethylsulfanyl-2-methyl-2-oxidanyl-pentanoic acid

Systemtic Name: 3-azanyl-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-ethylsulfanyl-2-methyl-2-oxidanyl-pentanoic acid Openeye Name: 3-amino-5-(1,3-dioxoisoindolin-2-yl)-5-ethylsulfanyl-2-hydroxy-2-methyl-pentanoic acid CAS Name: 3-amino-5-(1,3-dioxo-2-isoindolyl)-5-(ethylthio)-2-hydroxy-2-methylpentanoic acid IUPAC Name: 3-amino-5-(1,3-dioxoisoindol-2-yl)-5-ethylsulfanyl-2-hydroxy-2-methylpentanoic acid Traditional Name: 3-amino-5-(ethylthio)-2-hydroxy-2-methyl-5-phthalimido-valeric acid Formula: C16H20N2O5S MolecularWeight: 352.4054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(CC(C(C)(C(=O)O)O)N)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCSC(CC(C(C)(C(=O)O)O)N)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C16H20N2O5S/c1-3-24-12(8-11(17)16(2,23)15(21)22)18-13(19)9-6-4-5-7-10(9)14(18)20/h4-7,11-12,23H,3,8,17H2,1-2H3,(H,21,22)