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Reference substances

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IUPAC name:
3-hydroxypropyl [({5-[3-(3-{[3,5-bis({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl}-3,5,5-trimethylcyclohexyl)-5-({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]-1,3,3-trimethylcyclohexyl}methyl)carbamoyl]({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)carbamate

Inventory

Synonyms

Molecular and structural information

Molecular formula:
C91H152N16O18
Molecular weight:
ca. 1 758.28
SMILES notation:
CC1(CC(C)(C)CC(NC(=O)O\N=C(/C)CC)C1)CN8C(=O)N(CC2(C)CC(CC(C)(C)C2)N4C(=O)N(CC3(C)CC(C)(C)CC(NC(=O)O\N=C(/C)CC)C3)C(=O)N(C4=O)C6CC(C)(C)CC(C)(CNC(=O)N(CC5(C)CC(C)(C)CC(C5)NC(=O)O\N=C(/C)CC)C(=O)OCCCO)C6)C(=O)N(CC7(C)CC(C)(C)CC(NC(=O)O\N=C(/C)CC)C7)C8=O
InChl:
InChI=1S/C91H152N16O18/c1-27-58(5)97-122-69(110)93-62-34-80(9,10)47-87(22,38-62)53-101(79(120)121-33-31-32-108)68(109)92-52-86(21)44-66(42-84(17,18)46-86)106-76(117)105(56-90(25)41-65(37-83(15,16)50-90)96-72(113)125-100-61(8)30-4)77(118)107(78(106)119)67-43-85(19,20)51-91(26,45-67)57-104-74(115)102(54-88(23)39-63(35-81(11,12)48-88)94-70(111)123-98-59(6)28-2)73(114)103(75(104)116)55-89(24)40-64(36-82(13,14)49-89)95-71(112)124-99-60(7)29-3/h62-67,108H,27-57H2,1-26H3,(H,92,109)(H,93,110)(H,94,111)(H,95,112)(H,96,113)/b97-58+,98-59+,99-60+,100-61+
Structural formula:
Chemical structure

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