Chem
J-GLOBAL ID：200907006464205444   Nikkaji number：J572.216K

(Z)-4-[[(R)-1-Phenyl-2-[[(R)-2-[[[(2-adamantyl)oxy]carbonyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]amino]ethyl]amino]-4-oxo-2-butenoic acid

(Z)-4-[[(R)-1-フェニル-2-[[(R)-2-[[[(2-アダマンチル)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-1-オキソプロピル]アミノ]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： C35H40N4O6
Molecular formula furigana： C35-H40-N4-O6
Molecular weight： 612.727
InChI： InChI=1S/C35H40N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-12,19,21-22,24-25,29,32,36H,13-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/b12-11-/t21-,22+,24-,25+,29-,32?,35+/m0/s1
InChI key： REMAMJQTIPBFTH-GCXNJIGBSA-N
SMILES： C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NC[C@H](NC(=O)/C=C\C(=O)O)c1ccccc1
Systematic name  (3)：
  • (Z)-4-[[(R)-1-フェニル-2-[[(R)-2-[[[(2-アダマンチル)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-1-オキソプロピル]アミノ]エチル]アミノ]-4-オキソ-2-ブテン酸
  • (2Z)-3-{[(1R)-2-[(2R)-2-[(1H-インドール-3-イル)メチル]-2-({[(1r,3r,5r,7r)-アダマンタン-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
  • (2Z)-3-{[(1R)-2-[(2R)-2-[(1H-indol-3-yl)methyl]-2-({[(1r,3r,5r,7r)-adamantan-2-yloxy]carbonyl}amino)propanamido]-1-phenylethyl]carbamoyl}prop-2-enoic acid
Other name (1)：
  • (Z)-4-[[(R)-1-Phenyl-2-[[(R)-2-[[[(2-adamantyl)oxy]carbonyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]amino]ethyl]amino]-4-oxo-2-butenoic acid
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