8-[4-[(4-methylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butylamino]-8-oxidanylidene-octanoic acid

Systemtic Name: 8-[4-[(4-methylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butylamino]-8-oxidanylidene-octanoic acid Openeye Name: 8-[4-[tert-butoxycarbonyl(p-tolylmethyl)amino]butylamino]-8-oxo-octanoic acid CAS Name: 8-[4-[(4-methylphenyl)methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butylamino]-8-oxooctanoic acid IUPAC Name: 8-[4-[(4-methylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butylamino]-8-oxooctanoic acid Traditional Name: 8-[4-[tert-butoxycarbonyl-(4-methylbenzyl)amino]butylamino]-8-keto-caprylic acid Formula: C25H40N2O5 MolecularWeight: 448.5955

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CCCCNC(=O)CCCCCCC(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(CCCCNC(=O)CCCCCCC(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H40N2O5/c1-20-13-15-21(16-14-20)19-27(24(31)32-25(2,3)4)18-10-9-17-26-22(28)11-7-5-6-8-12-23(29)30/h13-16H,5-12,17-19H2,1-4H3,(H,26,28)(H,29,30)