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

Systemtic Name: 2-[3-oxidanylidene-1-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid Openeye Name: 2-[1-[(4-hydroxy-4-oxo-butanoyl)amino]-3-oxo-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid CAS Name: 2-[1-[(4-hydroxy-1,4-dioxobutyl)amino]-3-oxo-3-(pentylamino)propyl]-2-phenoxypropanedioic acid IUPAC Name: 2-[1-[(4-hydroxy-4-oxobutanoyl)amino]-3-oxo-3-(pentylamino)propyl]-2-phenoxypropanedioic acid Traditional Name: 2-[3-(amylamino)-1-[(4-hydroxy-4-keto-butanoyl)amino]-3-keto-propyl]-2-phenoxy-malonic acid Formula: C21H28N2O9 MolecularWeight: 452.45502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O9/c1-2-3-7-12-22-17(25)13-15(23-16(24)10-11-18(26)27)21(19(28)29,20(30)31)32-14-8-5-4-6-9-14/h4-6,8-9,15H,2-3,7,10-13H2,1H3,(H,22,25)(H,23,24)(H,26,27)(H,28,29)(H,30,31)