3,6,9-tris(azanyl)-3,6,9-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-4-[[4-[3-(2-methylprop-2-enoylamino)propoxy]phenyl]methyl]undecanedioic acid

Systemtic Name: 3,6,9-tris(azanyl)-3,6,9-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-4-[[4-[3-(2-methylprop-2-enoylamino)propoxy]phenyl]methyl]undecanedioic acid Openeye Name: 3,6,9-triamino-3,6,9-tris(2-tert-butoxy-2-oxo-ethyl)-4-[[4-[3-(2-methylprop-2-enoylamino)propoxy]phenyl]methyl]undecanedioic acid CAS Name: 3,6,9-triamino-4-[[4-[3-[(2-methyl-1-oxoprop-2-enyl)amino]propoxy]phenyl]methyl]-3,6,9-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]undecanedioic acid IUPAC Name: 3,6,9-triamino-3,6,9-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-[[4-[3-(2-methylprop-2-enoylamino)propoxy]phenyl]methyl]undecanedioic acid Traditional Name: 3,6,9-triamino-3,6,9-tris(2-tert-butoxy-2-keto-ethyl)-4-[4-(3-methacrylamidopropoxy)benzyl]undecanedioic acid Formula: C43H70N4O12 MolecularWeight: 835.0355

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)NCCCOC1=CC=C(C=C1)CC(CC(CCC(CC(=O)O)(CC(=O)OC(C)(C)C)N)(CC(=O)OC(C)(C)C)N)C(CC(=O)O)(CC(=O)OC(C)(C)C)N

Isomeric SMILES

CC(=C)C(=O)NCCCOC1=CC=C(C=C1)CC(CC(CCC(CC(=O)O)(CC(=O)OC(C)(C)C)N)(CC(=O)OC(C)(C)C)N)C(CC(=O)O)(CC(=O)OC(C)(C)C)N

InChI

InChI=1S/C43H70N4O12/c1-28(2)37(55)47-19-12-20-56-31-15-13-29(14-16-31)21-30(43(46,24-33(50)51)27-36(54)59-40(9,10)11)22-41(44,25-34(52)57-38(3,4)5)17-18-42(45,23-32(48)49)26-35(53)58-39(6,7)8/h13-16,30H,1,12,17-27,44-46H2,2-11H3,(H,47,55)(H,48,49)(H,50,51)