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

Systemtic Name: 2-[1-(carboxymethylcarbamoylamino)-3-oxidanylidene-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid Openeye Name: 2-[1-(carboxymethylcarbamoylamino)-3-oxo-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid CAS Name: 2-[1-[[(carboxymethylamino)-oxomethyl]amino]-3-oxo-3-(pentylamino)propyl]-2-phenoxypropanedioic acid IUPAC Name: 2-[1-(carboxymethylcarbamoylamino)-3-oxo-3-(pentylamino)propyl]-2-phenoxypropanedioic acid Traditional Name: 2-[3-(amylamino)-1-(carboxymethylcarbamoylamino)-3-keto-propyl]-2-phenoxy-malonic acid Formula: C20H27N3O9 MolecularWeight: 453.44308

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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)NCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O9/c1-2-3-7-10-21-15(24)11-14(23-19(31)22-12-16(25)26)20(17(27)28,18(29)30)32-13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3,(H,21,24)(H,25,26)(H,27,28)(H,29,30)(H2,22,23,31)