Chem
J-GLOBAL ID:200907050036725025   Nikkaji number:J1.002.680F

3,18-Dimethyl-8,12-bis[2-(methoxycarbonyl)ethyl]-10-tert-butyl-3-devinyl-8-de(2-carboxyethyl)-12-de(2-carboxyethyl)-18-devinylbilirubin

3,18-ジメチル-8,12-ビス[2-(メトキシカルボニル)エチル]-10-tert-ブチル-3-デビニル-8-デ(2-カルボキシエチル)-12-デ(2-カルボキシエチル)-18-デビニルビリルビン
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: C37H48N4O6
Molecular formula furigana: C37-H48-N4-O6
Molecular weight: 644.813
InChI: InChI=1S/C37H48N4O6/c1-18-20(3)35(44)40-26(18)16-28-22(5)24(12-14-30(42)46-10)33(38-28)32(37(7,8)9)34-25(13-15-31(43)47-11)23(6)29(39-34)17-27-19(2)21(4)36(45)41-27/h16-17,32,38-39H,12-15H2,1-11H3,(H,40,44)(H,41,45)/b26-16-,27-17-
InChI key: HPVOWORVNBWJHW-OTMNIUQESA-N
SMILES: COC(=O)CCc1c(C)c(/C=C/2\NC(=O)C(=C2C)C)[nH]c1C(c1[nH]c(/C=C/2\NC(=O)C(=C2C)C)c(C)c1CCC(=O)OC)C(C)(C)C
Systematic name  (3):
  • 3,18-ジメチル-8,12-ビス[2-(メトキシカルボニル)エチル]-10-tert-ブチル-3-デビニル-8-デ(2-カルボキシエチル)-12-デ(2-カルボキシエチル)-18-デビニルビリルビン
  • メチル 3-(5-{[(2Z)-3,4-ジメチル-5-オキソ-2,5-ジヒドロ-1H-ピロール-2-イリデン]メチル}-2-[1-(5-{[(2Z)-3,4-ジメチル-5-オキソ-2,5-ジヒドロ-1H-ピロール-2-イリデン]メチル}-3-(3-メトキシ-3-オキソプロピル)-4-メチル-1H-ピロール-2-イル)-2,2-ジメチルプロピル]-4-メチル-1H-ピロール-3-イル)プロパノアート
  • methyl 3-(5-{[(2Z)-3,4-dimethyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-2-[1-(5-{[(2Z)-3,4-dimethyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl)-2,2-dimethylpropyl]-4-methyl-1H-pyrrol-3-yl)propanoate
Other name (1):
  • 3,18-Dimethyl-8,12-bis[2-(methoxycarbonyl)ethyl]-10-tert-butyl-3-devinyl-8-de(2-carboxyethyl)-12-de(2-carboxyethyl)-18-devinylbilirubin
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