2-azanyl-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-2-(2-phenylethanoyl)pentanoic acid

Systemtic Name: 2-azanyl-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-2-(2-phenylethanoyl)pentanoic acid Openeye Name: 2-amino-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-2-(2-phenylacetyl)pentanoic acid CAS Name: 2-amino-5-[(5-methyl-2-nitrophenyl)thio]oxy-2-(1-oxo-2-phenylethyl)pentanoic acid IUPAC Name: 2-amino-5-(5-methyl-2-nitrophenyl)sulfanyloxy-2-(2-phenylacetyl)pentanoic acid Traditional Name: 2-amino-5-[(5-methyl-2-nitro-phenyl)thio]oxy-2-(2-phenylacetyl)valeric acid Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])SOCCCC(C(=O)CC2=CC=CC=C2)(C(=O)O)N

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])SOCCCC(C(=O)CC2=CC=CC=C2)(C(=O)O)N

InChI

InChI=1S/C20H22N2O6S/c1-14-8-9-16(22(26)27)17(12-14)29-28-11-5-10-20(21,19(24)25)18(23)13-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13,21H2,1H3,(H,24,25)