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

Systemtic Name: 2-[1-[(2-carboxycyclohexyl)carbonylamino]-3-oxidanylidene-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid Openeye Name: 2-[1-[(2-carboxycyclohexanecarbonyl)amino]-3-oxo-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid CAS Name: 2-[1-[[(2-carboxycyclohexyl)-oxomethyl]amino]-3-oxo-3-(pentylamino)propyl]-2-phenoxypropanedioic acid IUPAC Name: 2-[1-[(2-carboxycyclohexanecarbonyl)amino]-3-oxo-3-(pentylamino)propyl]-2-phenoxypropanedioic acid Traditional Name: 2-[3-(amylamino)-1-[(2-carboxycyclohexanecarbonyl)amino]-3-keto-propyl]-2-phenoxy-malonic acid Formula: C25H34N2O9 MolecularWeight: 506.54546

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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)C2CCCCC2C(=O)O

Isomeric SMILES

CCCCCNC(=O)CC(C(C(=O)O)(C(=O)O)OC1=CC=CC=C1)NC(=O)C2CCCCC2C(=O)O

InChI

InChI=1S/C25H34N2O9/c1-2-3-9-14-26-20(28)15-19(27-21(29)17-12-7-8-13-18(17)22(30)31)25(23(32)33,24(34)35)36-16-10-5-4-6-11-16/h4-6,10-11,17-19H,2-3,7-9,12-15H2,1H3,(H,26,28)(H,27,29)(H,30,31)(H,32,33)(H,34,35)