Chem
J-GLOBAL ID：200907034835139893   Nikkaji number：J525.644E

Ro-43-5054

Ro-43-5054
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： C24H27N5O7
Molecular formula furigana： C24-H27-N5-O7
Molecular weight： 497.508
InChI： InChI=1S/C24H27N5O7/c25-21(26)15-6-8-16(9-7-15)22(33)27-11-10-19(30)28-17(13-20(31)32)23(34)29-18(24(35)36)12-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2,(H3,25,26)(H,27,33)(H,28,30)(H,29,34)(H,31,32)(H,35,36)/t17-,18-/m0/s1
InChI key： XPXOBWWMCFKOKQ-ROUUACIJSA-N
SMILES： NC(=N)c1ccc(cc1)C(=O)NCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Systematic name  (3)：
  • N-[3-[(4-アミジノベンゾイル)アミノ]プロピオニル]-L-Asp-L-Phe-OH
  • (3S)-3-{3-[(4-カルバムイミドイルフェニル)ホルムアミド]プロパンアミド}-3-{[(1S)-1-カルボキシ-2-フェニルエチル]カルバモイル}プロパン酸
  • (3S)-3-{3-[(4-carbamimidoylphenyl)formamido]propanamido}-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid
Other name (2)：
  • Ro-43-5054
  • N-[3-[(4-Amidinobenzoyl)amino]propionyl]-L-Asp-L-Phe-OH
Thsaurus map：
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