Chem
J-GLOBAL ID:200907027992229212   Nikkaji number:J486.124H

(E)-4-[(R)-2-[(R)-2-[[(1S,4β)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2α-yl]oxycarbonylamino]-3-(1H-indol-3-yl)-2-methylpropanoylamino]-1-phenylethylamino]-4-oxo-2-butenoic acid

(E)-4-[(R)-2-[(R)-2-[[(1S,4β)-1,7,7-トリメチルビシクロ[2.2.1]ヘプタン-2α-イル]オキシカルボニルアミノ]-3-(1H-インドール-3-イル)-2-メチルプロパノイルアミノ]-1-フェニルエチルアミノ]-4-オキソ-2-ブテン酸
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: C35H42N4O6
Molecular formula furigana: C35-H42-N4-O6
Molecular weight: 614.743
InChI: InChI=1S/C35H42N4O6/c1-33(2)24-16-17-34(33,3)28(18-24)45-32(44)39-35(4,19-23-20-36-26-13-9-8-12-25(23)26)31(43)37-21-27(22-10-6-5-7-11-22)38-29(40)14-15-30(41)42/h5-15,20,24,27-28,36H,16-19,21H2,1-4H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/b15-14+/t24-,27-,28+,34+,35+/m0/s1
InChI key: ZOBYBPGAJWUXBY-DMPGAHDFSA-N
SMILES: C[C@](Cc1c[nH]c2ccccc12)(NC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C(=O)NC[C@H](NC(=O)/C=C/C(=O)O)c1ccccc1
Systematic name  (3):
  • (E)-4-[(R)-2-[(R)-2-[[(1S,4β)-1,7,7-トリメチルビシクロ[2.2.1]ヘプタン-2α-イル]オキシカルボニルアミノ]-3-(1H-インドール-3-イル)-2-メチルプロパノイルアミノ]-1-フェニルエチルアミノ]-4-オキソ-2-ブテン酸
  • (2E)-3-{[(1R)-2-[(2R)-2-[(1H-インドール-3-イル)メチル]-2-[({[(1S,2R,4S)-1,7,7-トリメチルビシクロ[2.2.1]ヘプタン-2-イル]オキシ}カルボニル)アミノ]プロパンアミド]-1-フェニルエチル]カルバモイル}プロパ-2-エン酸
  • (2E)-3-{[(1R)-2-[(2R)-2-[(1H-indol-3-yl)methyl]-2-[({[(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]oxy}carbonyl)amino]propanamido]-1-phenylethyl]carbamoyl}prop-2-enoic acid
Other name (1):
  • (E)-4-[(R)-2-[(R)-2-[[(1S,4β)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2α-yl]oxycarbonylamino]-3-(1H-indol-3-yl)-2-methylpropanoylamino]-1-phenylethylamino]-4-oxo-2-butenoic acid
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