Chem
J-GLOBAL ID：200907002349743895   Nikkaji number：J1.199.296J

N-[4-[3-[4-(Benzyloxy)cinnamoylamino]propanoylamino]benzoyl]-L-methionine methyl ester

N-[4-[3-[4-(ベンジルオキシ)シンナモイルアミノ]プロパノイルアミノ]ベンゾイル]-L-メチオニンメチル
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： C32H35N3O6S
Molecular formula furigana： C32-H35-N3-O6-S
Molecular weight： 589.710
InChI： InChI=1S/C32H35N3O6S/c1-40-32(39)28(19-21-42-2)35-31(38)25-11-13-26(14-12-25)34-30(37)18-20-33-29(36)17-10-23-8-15-27(16-9-23)41-22-24-6-4-3-5-7-24/h3-17,28H,18-22H2,1-2H3,(H,33,36)(H,34,37)(H,35,38)/b17-10+/t28-/m0/s1
InChI key： HINNWEVKNNVWOW-HWGVJAQFSA-N
SMILES： COC(=O)[C@H](CCSC)NC(=O)c1ccc(NC(=O)CCNC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1
Systematic name  (4)：
  • N-[4-[3-[4-(ベンジルオキシ)シンナモイルアミノ]プロパノイルアミノ]ベンゾイル]-L-メチオニンメチル
  • (S)-2-[[4-[[3-[[4-(ベンジルオキシ)シンナモイル]アミノ]-1-オキソプロピル]アミノ]ベンゾイル]アミノ]-4-(メチルチオ)ブタン酸メチル
  • メチル (2S)-2-[(4-{3-[(2E)-3-[4-(ベンジルオキシ)フェニル]プロパ-2-エンアミド]プロパンアミド}フェニル)ホルムアミド]-4-(メチルスルファニル)ブタノアート
  • methyl (2S)-2-[(4-{3-[(2E)-3-[4-(benzyloxy)phenyl]prop-2-enamido]propanamido}phenyl)formamido]-4-(methylsulfanyl)butanoate
Other name (2)：
  • N-[4-[3-[4-(Benzyloxy)cinnamoylamino]propanoylamino]benzoyl]-L-methionine methyl ester
  • (S)-2-[[4-[[3-[[4-(Benzyloxy)cinnamoyl]amino]-1-oxopropyl]amino]benzoyl]amino]-4-(methylthio)butanoic acid methyl ester
Thsaurus map：
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