2-[3-oxidanylidene-1-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamoylamino]-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid

Systemtic Name: 2-[3-oxidanylidene-1-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamoylamino]-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid Openeye Name: 2-[1-[(6-hydroxy-6-oxo-hexyl)carbamoylamino]-3-oxo-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid CAS Name: 2-[1-[[[(6-hydroxy-6-oxohexyl)amino]-oxomethyl]amino]-3-oxo-3-(pentylamino)propyl]-2-phenoxypropanedioic acid IUPAC Name: 2-[1-[(6-hydroxy-6-oxohexyl)carbamoylamino]-3-oxo-3-(pentylamino)propyl]-2-phenoxypropanedioic acid Traditional Name: 2-[3-(amylamino)-1-[(6-hydroxy-6-keto-hexyl)carbamoylamino]-3-keto-propyl]-2-phenoxy-malonic acid Formula: C24H35N3O9 MolecularWeight: 509.5494

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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)NCCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O9/c1-2-3-9-14-25-19(28)16-18(27-23(35)26-15-10-5-8-13-20(29)30)24(21(31)32,22(33)34)36-17-11-6-4-7-12-17/h4,6-7,11-12,18H,2-3,5,8-10,13-16H2,1H3,(H,25,28)(H,29,30)(H,31,32)(H,33,34)(H2,26,27,35)