2-[1-(2-carboxyethylcarbamoylamino)-3-oxidanylidene-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid

Systemtic Name: 2-[1-(2-carboxyethylcarbamoylamino)-3-oxidanylidene-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid Openeye Name: 2-[1-(2-carboxyethylcarbamoylamino)-3-oxo-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid CAS Name: 2-[1-[[(2-carboxyethylamino)-oxomethyl]amino]-3-oxo-3-(pentylamino)propyl]-2-phenoxypropanedioic acid IUPAC Name: 2-[1-(2-carboxyethylcarbamoylamino)-3-oxo-3-(pentylamino)propyl]-2-phenoxypropanedioic acid Traditional Name: 2-[3-(amylamino)-1-(2-carboxyethylcarbamoylamino)-3-keto-propyl]-2-phenoxy-malonic acid Formula: C21H29N3O9 MolecularWeight: 467.46966

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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)NCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O9/c1-2-3-7-11-22-16(25)13-15(24-20(32)23-12-10-17(26)27)21(18(28)29,19(30)31)33-14-8-5-4-6-9-14/h4-6,8-9,15H,2-3,7,10-13H2,1H3,(H,22,25)(H,26,27)(H,28,29)(H,30,31)(H2,23,24,32)