2-azanyl-3-methyl-3-[2-(4-nitrophenyl)ethylsulfanyl]butanoic acid

Systemtic Name: 2-azanyl-3-methyl-3-[2-(4-nitrophenyl)ethylsulfanyl]butanoic acid Openeye Name: 2-amino-3-methyl-3-[2-(4-nitrophenyl)ethylsulfanyl]butanoic acid CAS Name: 2-amino-3-methyl-3-[2-(4-nitrophenyl)ethylthio]butanoic acid IUPAC Name: 2-amino-3-methyl-3-[2-(4-nitrophenyl)ethylsulfanyl]butanoic acid Traditional Name: 2-amino-3-methyl-3-[2-(4-nitrophenyl)ethylthio]butyric acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)N)SCCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(C(=O)O)N)SCCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O4S/c1-13(2,11(14)12(16)17)20-8-7-9-3-5-10(6-4-9)15(18)19/h3-6,11H,7-8,14H2,1-2H3,(H,16,17)