Chem
J-GLOBAL ID：201207077111736128   Nikkaji number：J3.077.172I

1-[(R)-2-Methyl-3,6,9-trioxadecane-1-yl]-1′-propyl[1,1′-(1,3-phenylene)bis[3-propyl-3-[3-[1,3-dipropyl-3-[3-(1,3-dipropyl-3-phenylureido)phenyl]ureido]phenyl]urea]]

1-[(R)-2-メチル-3,6,9-トリオキサデカン-1-イル]-1′-プロピル[1,1′-(1,3-フェニレン)ビス[3-プロピル-3-[3-[1,3-ジプロピル-3-[3-(1,3-ジプロピル-3-フェニルウレイド)フェニル]ウレイド]フェニル]尿素]]
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： C89H124N12O9
Molecular formula furigana： C89-H124-N12-O9
Molecular weight： 1506.046
InChI： InChI=1S/C89H124N12O9/c1-14-50-90(72-36-27-25-28-37-72)84(102)92(52-16-3)74-40-31-42-76(65-74)94(54-18-5)86(104)96(56-20-7)78-44-33-45-79(67-78)97(57-21-8)88(106)99(59-23-10)82-48-35-49-83(69-82)101(70-71(12)110-64-63-109-62-61-108-13)89(107)100(60-24-11)81-47-34-46-80(68-81)98(58-22-9)87(105)95(55-19-6)77-43-32-41-75(66-77)93(53-17-4)85(103)91(51-15-2)73-38-29-26-30-39-73/h25-49,65-69,71H,14-24,50-64,70H2,1-13H3/t71-/m1/s1
InChI key： MWSDGVXCNORNCK-CCFIYAIGSA-N
SMILES： CCCN(C(=O)N(CCC)c1cccc(c1)N(CCC)C(=O)N(CCC)c1cccc(c1)N(CCC)C(=O)N(CCC)c1cccc(c1)N(C[C@@H](C)OCCOCCOC)C(=O)N(CCC)c1cccc(c1)N(CCC)C(=O)N(CCC)c1cccc(c1)N(CCC)C(=O)N(CCC)c1ccccc1)c1ccccc1
Systematic name  (3)：
  • 1-[(R)-2-メチル-3,6,9-トリオキサデカン-1-イル]-1′-プロピル[1,1′-(1,3-フェニレン)ビス[3-プロピル-3-[3-[1,3-ジプロピル-3-[3-(1,3-ジプロピル-3-フェニルウレイド)フェニル]ウレイド]フェニル]尿素]]
  • 1-{3-[({3-[(3R)-3-メチル-1-[(3-{[(3-{[フェニル(プロピル)カルバモイル](プロピル)アミノ}フェニル)(プロピル)カルバモイル](プロピル)アミノ}フェニル)(プロピル)カルバモイル]-4,7,10-トリオキサ-1-アザウンデカン-1-イル]フェニル}(プロピル)カルバモイル)(プロピル)アミノ]フェニル}-3-(3-{[フェニル(プロピル)カルバモイル](プロピル)アミノ}フェニル)-1,3-ジプロピル尿素
  • 1-{3-[({3-[(3R)-3-methyl-1-[(3-{[(3-{[phenyl(propyl)carbamoyl](propyl)amino}phenyl)(propyl)carbamoyl](propyl)amino}phenyl)(propyl)carbamoyl]-4,7,10-trioxa-1-azaundecan-1-yl]phenyl}(propyl)carbamoyl)(propyl)amino]phenyl}-3-(3-{[phenyl(propyl)carbamoyl](propyl)amino}phenyl)-1,3-dipropylurea
Other name (1)：
  • 1-[(R)-2-Methyl-3,6,9-trioxadecane-1-yl]-1′-propyl[1,1′-(1,3-phenylene)bis[3-propyl-3-[3-[1,3-dipropyl-3-[3-(1,3-dipropyl-3-phenylureido)phenyl]ureido]phenyl]urea]]
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