Chem
J-GLOBAL ID:200907050710881739   Nikkaji number:J1.380.956I

Nα-[(Z)-2-Iodo-2-butenyl]-Nα-[(1E)-4-(methoxycarbonyl)-5-oxo-5-methoxy-1,3-pentadienyl]tryptophan tert-butyl ester

Nα-[(Z)-2-ヨード-2-ブテニル]-Nα-[(1E)-4-(メトキシカルボニル)-5-オキソ-5-メトキシ-1,3-ペンタジエニル]トリプトファンtert-ブチル
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: C27H33IN2O6
Molecular formula furigana: C27-H33-I-N2-O6
Molecular weight: 608.473
InChI: InChI=1S/C27H33IN2O6/c1-7-19(28)17-30(14-10-12-21(24(31)34-5)25(32)35-6)23(26(33)36-27(2,3)4)15-18-16-29-22-13-9-8-11-20(18)22/h7-14,16,23,29H,15,17H2,1-6H3/b14-10+,19-7-/t23-/m0/s1
InChI key: PJMIXUUIGVDZCX-XAQARQRBSA-N
SMILES: COC(=O)C(=C/C=C/N(C/C(=C/C)/I)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)C(=O)OC
Systematic name  (3):
  • Nα-[(Z)-2-ヨード-2-ブテニル]-Nα-[(1E)-4-(メトキシカルボニル)-5-オキソ-5-メトキシ-1,3-ペンタジエニル]トリプトファンtert-ブチル
  • 1,3-ジメチル 2-[(2E)-3-{[(2S)-1-(tert-ブトキシ)-3-(1H-インドール-3-イル)-1-オキソプロパン-2-イル][(2Z)-2-ヨードブタ-2-エン-1-イル]アミノ}プロパ-2-エン-1-イリデン]プロパンジオアート
  • 1,3-dimethyl 2-[(2E)-3-{[(2S)-1-(tert-butoxy)-3-(1H-indol-3-yl)-1-oxopropan-2-yl][(2Z)-2-iodobut-2-en-1-yl]amino}prop-2-en-1-ylidene]propanedioate
Other name (1):
  • Nα-[(Z)-2-Iodo-2-butenyl]-Nα-[(1E)-4-(methoxycarbonyl)-5-oxo-5-methoxy-1,3-pentadienyl]tryptophan tert-butyl ester
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