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

Systemtic Name: 2-[3-(decylamino)-3-oxidanylidene-1-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]propyl]-2-phenoxy-propanedioic acid Openeye Name: 2-[3-(decylamino)-1-[(4-hydroxy-4-oxo-butanoyl)amino]-3-oxo-propyl]-2-phenoxy-propanedioic acid CAS Name: 2-[3-(decylamino)-1-[(4-hydroxy-1,4-dioxobutyl)amino]-3-oxopropyl]-2-phenoxypropanedioic acid IUPAC Name: 2-[3-(decylamino)-1-[(4-hydroxy-4-oxobutanoyl)amino]-3-oxopropyl]-2-phenoxypropanedioic acid Traditional Name: 2-[3-(decylamino)-1-[(4-hydroxy-4-keto-butanoyl)amino]-3-keto-propyl]-2-phenoxy-malonic acid Formula: C26H38N2O9 MolecularWeight: 522.58792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O9/c1-2-3-4-5-6-7-8-12-17-27-22(30)18-20(28-21(29)15-16-23(31)32)26(24(33)34,25(35)36)37-19-13-10-9-11-14-19/h9-11,13-14,20H,2-8,12,15-18H2,1H3,(H,27,30)(H,28,29)(H,31,32)(H,33,34)(H,35,36)