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

Systemtic Name: 8-[4-[(4-dimethylaminophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butylamino]-8-oxidanylidene-octanoic acid Openeye Name: 8-[4-[tert-butoxycarbonyl-[(4-dimethylaminophenyl)methyl]amino]butylamino]-8-oxo-octanoic acid CAS Name: 8-[4-[(4-dimethylaminophenyl)methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butylamino]-8-oxooctanoic acid IUPAC Name: 8-[4-[(4-dimethylaminophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butylamino]-8-oxooctanoic acid Traditional Name: 8-[4-[tert-butoxycarbonyl-[4-(dimethylamino)benzyl]amino]butylamino]-8-keto-caprylic acid Formula: C26H43N3O5 MolecularWeight: 477.63672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H43N3O5/c1-26(2,3)34-25(33)29(20-21-14-16-22(17-15-21)28(4)5)19-11-10-18-27-23(30)12-8-6-7-9-13-24(31)32/h14-17H,6-13,18-20H2,1-5H3,(H,27,30)(H,31,32)