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Reference substances

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IUPAC name:
butyl [({5-[3-(3-{[3-({5-[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]-1,3,3-trimethylcyclohexyl}methyl)-5-({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

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Synonyms

Molecular and structural information

Molecular formula:
C120H199N21O22
Molecular weight:
ca. 2 287.99
SMILES notation:
CCC(\C)=N\OC(=O)NC1CC(C)(C)CC(C)(C1)CN%11C(=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)OCCCC)C6)C(=O)N(CC7(C)CC(C)(C)CC(C7)N%10C(=O)N(CC8(C)CC(C)(C)CC(NC(=O)O\N=C(/C)CC)C8)C(=O)N(CC9(C)CC(C)(C)CC(NC(=O)O\N=C(/C)CC)C9)C%10=O)C%11=O
InChl:
InChI=1S/C120H199N21O22/c1-36-42-43-158-104(157)132(69-114(29)49-81(44-105(12,13)61-114)122-90(143)159-127-76(7)37-2)89(142)121-68-113(28)57-86(54-110(22,23)60-113)140-101(154)138(73-118(33)53-85(48-109(20,21)65-118)126-94(147)163-131-80(11)41-6)102(155)141(103(140)156)88-56-112(26,27)67-120(35,59-88)75-135-96(149)133(70-115(30)50-82(45-106(14,15)62-115)123-91(144)160-128-77(8)38-3)95(148)134(97(135)150)74-119(34)58-87(55-111(24,25)66-119)139-99(152)136(71-116(31)51-83(46-107(16,17)63-116)124-92(145)161-129-78(9)39-4)98(151)137(100(139)153)72-117(32)52-84(47-108(18,19)64-117)125-93(146)162-130-79(10)40-5/h81-88H,36-75H2,1-35H3,(H,121,142)(H,122,143)(H,123,144)(H,124,145)(H,125,146)(H,126,147)/b127-76+,128-77+,129-78+,130-79+,131-80+
Structural formula:
Chemical structure

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