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

Systemtic Name: 2-[3-oxidanylidene-1-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid Openeye Name: 2-[1-[(3-hydroxy-3-oxo-propanoyl)amino]-3-oxo-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid CAS Name: 2-[1-[(3-hydroxy-1,3-dioxopropyl)amino]-3-oxo-3-(pentylamino)propyl]-2-phenoxypropanedioic acid IUPAC Name: 2-[1-[(3-hydroxy-3-oxopropanoyl)amino]-3-oxo-3-(pentylamino)propyl]-2-phenoxypropanedioic acid Traditional Name: 2-[3-(amylamino)-1-[(3-hydroxy-3-keto-propanoyl)amino]-3-keto-propyl]-2-phenoxy-malonic acid Formula: C20H26N2O9 MolecularWeight: 438.42844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O9/c1-2-3-7-10-21-15(23)11-14(22-16(24)12-17(25)26)20(18(27)28,19(29)30)31-13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3,(H,21,23)(H,22,24)(H,25,26)(H,27,28)(H,29,30)