Chem
J-GLOBAL ID:200907051226777079   Nikkaji number:J2.617.743J

4,4′-(1,3,5,7-Tetraoxo-1,2,3,5,6,7-hexahydrobenzo[1,2-c:4,5-c′]dipyrrole-2,6-diyl)bis[(4S)-5-oxo-5-(4-iodoanilino)pentanoic acid cyclohexyl] ester

4,4′-(1,3,5,7-テトラオキソ-1,2,3,5,6,7-ヘキサヒドロベンゾ[1,2-c:4,5-c′]ジピロール-2,6-ジイル)ビス[(4S)-5-オキソ-5-(4-ヨードアニリノ)ペンタン酸シクロヘキシル]
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: C44H44I2N4O10
Molecular formula furigana: C44-H44-I2-N4-O10
Molecular weight: 1042.663
InChI: InChI=1S/C44H44I2N4O10/c45-25-11-15-27(16-12-25)47-39(53)35(19-21-37(51)59-29-7-3-1-4-8-29)49-41(55)31-23-33-34(24-32(31)42(49)56)44(58)50(43(33)57)36(40(54)48-28-17-13-26(46)14-18-28)20-22-38(52)60-30-9-5-2-6-10-30/h11-18,23-24,29-30,35-36H,1-10,19-22H2,(H,47,53)(H,48,54)/t35-,36-/m0/s1
InChI key: BWXRJQXGCWQNHX-ZPGRZCPFSA-N
SMILES: Ic1ccc(NC(=O)[C@H](CCC(=O)OC2CCCCC2)n2c(=O)c3cc4c(cc3c2=O)c(=O)n([C@@H](CCC(=O)OC2CCCCC2)C(=O)Nc2ccc(I)cc2)c4=O)cc1
Systematic name  (3):
  • 4,4′-(1,3,5,7-テトラオキソ-1,2,3,5,6,7-ヘキサヒドロベンゾ[1,2-c:4,5-c′]ジピロール-2,6-ジイル)ビス[(4S)-5-オキソ-5-(4-ヨードアニリノ)ペンタン酸シクロヘキシル]
  • シクロヘキシル (4S)-4-{6-[(1S)-4-(シクロヘキシルオキシ)-1-[(4-ヨードフェニル)カルバモイル]-4-オキソブチル]-1,3,5,7-テトラオキソ-1H,2H,3H,5H,6H,7H-ピロロ[3,4-f]イソインドール-2-イル}-4-[(4-ヨードフェニル)カルバモイル]ブタノアート
  • cyclohexyl (4S)-4-{6-[(1S)-4-(cyclohexyloxy)-1-[(4-iodophenyl)carbamoyl]-4-oxobutyl]-1,3,5,7-tetraoxo-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindol-2-yl}-4-[(4-iodophenyl)carbamoyl]butanoate
Other name (1):
  • 4,4′-(1,3,5,7-Tetraoxo-1,2,3,5,6,7-hexahydrobenzo[1,2-c:4,5-c′]dipyrrole-2,6-diyl)bis[(4S)-5-oxo-5-(4-iodoanilino)pentanoic acid cyclohexyl] ester
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