Chem
J-GLOBAL ID：202407001784082265   Nikkaji number：J3.806.582C

12-[18-(2,6-diisopropylphenyl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]dodecanoic acid

12-[18-(2,6-ジイソプロピルフェニル)-6,8,17,19-テトラオキソ-7,18-ジアザヘプタシクロ[14.6.2.22,5.03,12.04,9.013,23.020,24]ヘキサコサ-1(22),2(26),3,5(25),9,11,13,15,20,23-デカエン-7-イル]ドデカン酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C48H48N2O6
Molecular formula furigana： C48-H48-N2-O6
Molecular weight： 748.920
InChI： InChI=1S/C48H48N2O6/c1-27(2)29-15-14-16-30(28(3)4)44(29)50-47(55)37-24-20-33-31-18-22-35-42-36(23-19-32(40(31)42)34-21-25-38(48(50)56)43(37)41(33)34)46(54)49(45(35)53)26-13-11-9-7-5-6-8-10-12-17-39(51)52/h14-16,18-25,27-28H,5-13,17,26H2,1-4H3,(H,51,52)
InChI key： CFJUTGFEBISZAE-UHFFFAOYSA-N
SMILES： C(=O)(CCCCCCCCCCCn1c(=O)c2c3c4c(c5c6c7c(ccc6c4ccc3c1=O)c(=O)n(c(=O)c7cc5)c1c(cccc1C(C)C)C(C)C)cc2)O
Systematic name  (3)：
  • 12-[18-[2,6-ビス(プロパン-2-イル)フェニル]-6,8,17,19-テトラオキソ-7,18-ジアザヘプタシクロ[14.6.2.22,5.03,12.04,9.013,23.020,24]ヘキサコサ-1(22),2(26),3,5(25),9,11,13,15,20,23-デカエン-7-イル]ドデカン酸
  • 12-{18-[2,6-ビス(プロパン-2-イル)フェニル]-6,8,17,19-テトラオキソ-7,18-ジアザヘプタシクロ[14.6.2.22,5.03,12.04,9.013,23.020,24]ヘキサコサ-1(22),2(26),3,5(25),9,11,13,15,20,23-デカエン-7-イル}ドデカン酸
  • 12-{18-[2,6-bis(propan-2-yl)phenyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl}dodecanoic acid
Other name (2)：
  • 12-[18-(2,6-ジイソプロピルフェニル)-6,8,17,19-テトラオキソ-7,18-ジアザヘプタシクロ[14.6.2.22,5.03,12.04,9.013,23.020,24]ヘキサコサ-1(22),2(26),3,5(25),9,11,13,15,20,23-デカエン-7-イル]ドデカン酸
  • 12-[18-(2,6-diisopropylphenyl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]dodecanoic acid
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