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

Systemtic Name: 2-azanyl-2-cyclohexylcarbonyl-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-pentanoic acid Openeye Name: 2-amino-2-(cyclohexanecarbonyl)-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-pentanoic acid CAS Name: 2-amino-2-[cyclohexyl(oxo)methyl]-5-[(5-methyl-2-nitrophenyl)thio]oxypentanoic acid IUPAC Name: 2-amino-2-(cyclohexanecarbonyl)-5-(5-methyl-2-nitrophenyl)sulfanyloxypentanoic acid Traditional Name: 2-amino-2-(cyclohexanecarbonyl)-5-[(5-methyl-2-nitro-phenyl)thio]oxy-valeric acid Formula: C19H26N2O6S MolecularWeight: 410.48454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])SOCCCC(C(=O)C2CCCCC2)(C(=O)O)N

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])SOCCCC(C(=O)C2CCCCC2)(C(=O)O)N

InChI

InChI=1S/C19H26N2O6S/c1-13-8-9-15(21(25)26)16(12-13)28-27-11-5-10-19(20,18(23)24)17(22)14-6-3-2-4-7-14/h8-9,12,14H,2-7,10-11,20H2,1H3,(H,23,24)