2-[3-(hexylamino)-3-oxidanylidene-1-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]propyl]-2-phenoxy-propanedioic acid

Systemtic Name: 2-[3-(hexylamino)-3-oxidanylidene-1-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]propyl]-2-phenoxy-propanedioic acid Openeye Name: 2-[3-(hexylamino)-1-[(4-hydroxy-4-oxo-butanoyl)amino]-3-oxo-propyl]-2-phenoxy-propanedioic acid CAS Name: 2-[3-(hexylamino)-1-[(4-hydroxy-1,4-dioxobutyl)amino]-3-oxopropyl]-2-phenoxypropanedioic acid IUPAC Name: 2-[3-(hexylamino)-1-[(4-hydroxy-4-oxobutanoyl)amino]-3-oxopropyl]-2-phenoxypropanedioic acid Traditional Name: 2-[3-(hexylamino)-1-[(4-hydroxy-4-keto-butanoyl)amino]-3-keto-propyl]-2-phenoxy-malonic acid Formula: C22H30N2O9 MolecularWeight: 466.4816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CC(C(C(=O)O)(C(=O)O)OC1=CC=CC=C1)NC(=O)CCC(=O)O

Isomeric SMILES

CCCCCCNC(=O)CC(C(C(=O)O)(C(=O)O)OC1=CC=CC=C1)NC(=O)CCC(=O)O

InChI

InChI=1S/C22H30N2O9/c1-2-3-4-8-13-23-18(26)14-16(24-17(25)11-12-19(27)28)22(20(29)30,21(31)32)33-15-9-6-5-7-10-15/h5-7,9-10,16H,2-4,8,11-14H2,1H3,(H,23,26)(H,24,25)(H,27,28)(H,29,30)(H,31,32)