2-[1-[(3,3-dimethyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-oxidanylidene-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid

Systemtic Name: 2-[1-[(3,3-dimethyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-oxidanylidene-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid Openeye Name: 2-[1-[(5-hydroxy-3,3-dimethyl-5-oxo-pentanoyl)amino]-3-oxo-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid CAS Name: 2-[1-[(5-hydroxy-3,3-dimethyl-1,5-dioxopentyl)amino]-3-oxo-3-(pentylamino)propyl]-2-phenoxypropanedioic acid IUPAC Name: 2-[1-[(5-hydroxy-3,3-dimethyl-5-oxopentanoyl)amino]-3-oxo-3-(pentylamino)propyl]-2-phenoxypropanedioic acid Traditional Name: 2-[3-(amylamino)-1-[(5-hydroxy-5-keto-3,3-dimethyl-pentanoyl)amino]-3-keto-propyl]-2-phenoxy-malonic acid Formula: C24H34N2O9 MolecularWeight: 494.53476

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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)CC(C)(C)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O9/c1-4-5-9-12-25-18(27)13-17(26-19(28)14-23(2,3)15-20(29)30)24(21(31)32,22(33)34)35-16-10-7-6-8-11-16/h6-8,10-11,17H,4-5,9,12-15H2,1-3H3,(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,33,34)