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

Systemtic Name: 2-azanyl-2-cyclopropylcarbonyl-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-pentanoic acid Openeye Name: 2-amino-2-(cyclopropanecarbonyl)-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-pentanoic acid CAS Name: 2-amino-2-[cyclopropyl(oxo)methyl]-5-[(5-methyl-2-nitrophenyl)thio]oxypentanoic acid IUPAC Name: 2-amino-2-(cyclopropanecarbonyl)-5-(5-methyl-2-nitrophenyl)sulfanyloxypentanoic acid Traditional Name: 2-amino-2-(cyclopropanecarbonyl)-5-[(5-methyl-2-nitro-phenyl)thio]oxy-valeric acid Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])SOCCCC(C(=O)C2CC2)(C(=O)O)N

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])SOCCCC(C(=O)C2CC2)(C(=O)O)N

InChI

InChI=1S/C16H20N2O6S/c1-10-3-6-12(18(22)23)13(9-10)25-24-8-2-7-16(17,15(20)21)14(19)11-4-5-11/h3,6,9,11H,2,4-5,7-8,17H2,1H3,(H,20,21)