2-azanyl-2-cyclohexylcarbonyl-5-[(5-methyl-2-nitro-phenyl)amino]pentanoic acid

Systemtic Name: 2-azanyl-2-cyclohexylcarbonyl-5-[(5-methyl-2-nitro-phenyl)amino]pentanoic acid Openeye Name: 2-amino-2-(cyclohexanecarbonyl)-5-(5-methyl-2-nitro-anilino)pentanoic acid CAS Name: 2-amino-2-[cyclohexyl(oxo)methyl]-5-(5-methyl-2-nitroanilino)pentanoic acid IUPAC Name: 2-amino-2-(cyclohexanecarbonyl)-5-(5-methyl-2-nitroanilino)pentanoic acid Traditional Name: 2-amino-2-(cyclohexanecarbonyl)-5-(5-methyl-2-nitro-anilino)valeric acid Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O5/c1-13-8-9-16(22(26)27)15(12-13)21-11-5-10-19(20,18(24)25)17(23)14-6-3-2-4-7-14/h8-9,12,14,21H,2-7,10-11,20H2,1H3,(H,24,25)