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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)C(CCCCOCC1=CC=CC=C1)C(C=O)NO)(C(=O)O)N

Isomeric SMILES

CC(C)(C)C(C(=O)C(CCCCOCC1=CC=CC=C1)C(C=O)NO)(C(=O)O)N

InChI

InChI=1S/C21H32N2O6/c1-20(2,3)21(22,19(26)27)18(25)16(17(13-24)23-28)11-7-8-12-29-14-15-9-5-4-6-10-15/h4-6,9-10,13,16-17,23,28H,7-8,11-12,14,22H2,1-3H3,(H,26,27)