2-azanyl-2-tert-butyl-8-(3-methylphenoxy)-4-[1-(oxidanylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-octanoic acid

Systemtic Name: 2-azanyl-2-tert-butyl-8-(3-methylphenoxy)-4-[1-(oxidanylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-octanoic acid Openeye Name: 2-amino-2-tert-butyl-4-[1-(hydroxyamino)-2-oxo-ethyl]-8-(3-methylphenoxy)-3-oxo-octanoic acid CAS Name: 2-amino-2-tert-butyl-4-[1-(hydroxyamino)-2-oxoethyl]-8-(3-methylphenoxy)-3-oxooctanoic acid IUPAC Name: 2-amino-2-tert-butyl-4-[1-(hydroxyamino)-2-oxoethyl]-8-(3-methylphenoxy)-3-oxooctanoic acid Traditional Name: 2-amino-2-tert-butyl-4-[1-(hydroxyamino)-2-keto-ethyl]-3-keto-8-(3-methylphenoxy)caprylic acid Formula: C21H32N2O6 MolecularWeight: 408.48858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCCC(C(C=O)NO)C(=O)C(C(=O)O)(C(C)(C)C)N

Isomeric SMILES

CC1=CC(=CC=C1)OCCCCC(C(C=O)NO)C(=O)C(C(=O)O)(C(C)(C)C)N

InChI

InChI=1S/C21H32N2O6/c1-14-8-7-9-15(12-14)29-11-6-5-10-16(17(13-24)23-28)18(25)21(22,19(26)27)20(2,3)4/h7-9,12-13,16-17,23,28H,5-6,10-11,22H2,1-4H3,(H,26,27)