ditert-butyl 4-[[7-[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]-1,7-bis(oxidanylidene)heptan-4-yl]amino]-4-[3-[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]-1,7-bis(oxidanylidene)heptan-4-yl]amino]-3-oxidanylidene-propyl]-7-oxidanylidene-4-(4-phenylmethoxybutanoylamino)heptanoyl]amino]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]heptanedioate

Systemtic Name: ditert-butyl 4-[[7-[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]-1,7-bis(oxidanylidene)heptan-4-yl]amino]-4-[3-[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]-1,7-bis(oxidanylidene)heptan-4-yl]amino]-3-oxidanylidene-propyl]-7-oxidanylidene-4-(4-phenylmethoxybutanoylamino)heptanoyl]amino]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]heptanedioate Openeye Name: ditert-butyl 4-[[4-(4-benzyloxybutanoylamino)-7-[[4-tert-butoxy-1,1-bis(3-tert-butoxy-3-oxo-propyl)-4-oxo-butyl]amino]-4-[3-[[4-tert-butoxy-1,1-bis(3-tert-butoxy-3-oxo-propyl)-4-oxo-butyl]amino]-3-oxo-propyl]-7-oxo-heptanoyl]amino]-4-(3-tert-butoxy-3-oxo-propyl)heptanedioate CAS Name: 4-[[7-[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-1,7-dioxo-4-[(1-oxo-4-phenylmethoxybutyl)amino]heptyl]amino]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-[[7-[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-7-oxo-4-(4-phenylmethoxybutanoylamino)heptanoyl]amino]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioate Traditional Name: 4-[[4-(4-benzoxybutanoylamino)-7-[[4-tert-butoxy-1,1-bis(3-tert-butoxy-3-keto-propyl)-4-keto-butyl]amino]-4-[3-[[4-tert-butoxy-1,1-bis(3-tert-butoxy-3-keto-propyl)-4-keto-butyl]amino]-3-keto-propyl]-7-keto-heptanoyl]amino]-4-(3-tert-butoxy-3-keto-propyl)pimelic acid ditert-butyl ester Formula: C87H146N4O23 MolecularWeight: 1616.10314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)NC(=O)CCC(CCC(=O)NC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C)(CCC(=O)NC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C)NC(=O)CCCOCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)CCC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)NC(=O)CCC(CCC(=O)NC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C)(CCC(=O)NC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C)NC(=O)CCCOCC1=CC=CC=C1

InChI

InChI=1S/C87H146N4O23/c1-75(2,3)106-66(96)38-50-85(51-39-67(97)107-76(4,5)6,52-40-68(98)108-77(7,8)9)89-63(93)35-47-84(88-62(92)34-31-59-105-60-61-32-29-28-30-33-61,48-36-64(94)90-86(53-41-69(99)109-78(10,11)12,54-42-70(100)110-79(13,14)15)55-43-71(101)111-80(16,17)18)49-37-65(95)91-87(56-44-72(102)112-81(19,20)21,57-45-73(103)113-82(22,23)24)58-46-74(104)114-83(25,26)27/h28-30,32-33H,31,34-60H2,1-27H3,(H,88,92)(H,89,93)(H,90,94)(H,91,95)