2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid

Systemtic Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid Openeye Name: 2-[1-(tert-butoxycarbonylamino)-3-oxo-3-(pentylamino)propyl]-2-phenoxy-propanedioic acid CAS Name: 2-[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-3-(pentylamino)propyl]-2-phenoxypropanedioic acid IUPAC Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-(pentylamino)propyl]-2-phenoxypropanedioic acid Traditional Name: 2-[3-(amylamino)-1-(tert-butoxycarbonylamino)-3-keto-propyl]-2-phenoxy-malonic acid Formula: C22H32N2O8 MolecularWeight: 452.49808

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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)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O8/c1-5-6-10-13-23-17(25)14-16(24-20(30)32-21(2,3)4)22(18(26)27,19(28)29)31-15-11-8-7-9-12-15/h7-9,11-12,16H,5-6,10,13-14H2,1-4H3,(H,23,25)(H,24,30)(H,26,27)(H,28,29)