6-(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3(12),4(9),5(25),10,14,16(24),21-nonaen-7-yl)hexanoic acid
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![6-(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3(12),4(9),5(25),10,14,16(24),21-nonaen-7-yl)hexanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/bd957f381f974a3ea1657e8b7fcdf69a.png "6-(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3(12),4(9),5(25),10,14,16(24),21-nonaen-7-yl)hexanoic acid")
6-(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3(12),4(9),5(25),10,14,16(24),21-nonaen-7-yl)hexanoic acid
structure -
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CAS No:
2137039-48-4
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Formula:
C43H48N2O6
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Chemical Name:
6-(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3(12),4(9),5(25),10,14,16(24),21-nonaen-7-yl)hexanoic acid
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Synonyms:
2137039-48-4;6-(1,3,8,10-Tetraoxo-9-(tridecan-7-yl)-8,9,10,10a-tetrahydroanthra[2,1,9-def:6,5,10-d'e'f']diisoquinolin-2(1H,3H,5bH)-yl)hexanoic acid
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CAS No:
6-(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3(12),4(9),5(25),10,14,16(24),21-nonaen-7-yl)hexanoic acid Basic Attributes
688.8 g/mol
688.35123726 g/mol
Computed Properties
Molecular Weight:688.8
XLogP3:8.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:17
Exact Mass:688.35123726
Monoisotopic Mass:688.35123726
Topological Polar Surface Area:112
Heavy Atom Count:51
Complexity:1540
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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