2-azanyl-4-methyl-2-[3-(5-methyl-2-nitro-phenyl)sulfanyloxypropyl]-3-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-4-methyl-2-[3-(5-methyl-2-nitro-phenyl)sulfanyloxypropyl]-3-oxidanylidene-pentanoic acid Openeye Name: 2-amino-4-methyl-2-[3-(5-methyl-2-nitro-phenyl)sulfanyloxypropyl]-3-oxo-pentanoic acid CAS Name: 2-amino-4-methyl-2-[3-[(5-methyl-2-nitrophenyl)thio]oxypropyl]-3-oxopentanoic acid IUPAC Name: 2-amino-4-methyl-2-[3-(5-methyl-2-nitrophenyl)sulfanyloxypropyl]-3-oxopentanoic acid Traditional Name: 2-amino-3-keto-4-methyl-2-[3-[(5-methyl-2-nitro-phenyl)thio]oxypropyl]valeric acid Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6S/c1-10(2)14(19)16(17,15(20)21)7-4-8-24-25-13-9-11(3)5-6-12(13)18(22)23/h5-6,9-10H,4,7-8,17H2,1-3H3,(H,20,21)