Chem
J-GLOBAL ID：200907034322834014   Nikkaji number：J1.105.468D

CH-21

(2S)-2-[(2S)-3-{[(1S)-1-アザニウミルエチル](オキシド)ホスホリル}-2-({[1,1'-ビフェニル]-4-イル}メチル)プロパンアミド]プロパノアート
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： C21H26N[N+]O3[O-]2P
Molecular formula furigana： C21-H26-N2-O5-P
Molecular weight： 417.422
InChI： InChI=1S/C21H27N2O5P/c1-14(21(25)26)23-20(24)19(13-29(27,28)15(2)22)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19H,12-13,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/p-1/t14-,15-,19+/m0/s1
InChI key： CWJPVKSBGVPXRD-YZVOILCLSA-M
SMILES： C[C@@H]([NH3+])P(=O)([O-])C[C@@H](Cc1ccc(cc1)c1ccccc1)C(=O)N[C@@H](C)C(=O)[O-]
Systematic name  (3)：
  • (S)-2-[[(S)-3-[[(S)-1-(アンモニオ)エチル]オキシラト(オキソ)ホスホラニル]-2-[(1,1′-ビフェニル-4-イル)メチル]プロピオニル]アミノ]プロパノアート
  • (2S)-2-[(2S)-3-{[(1S)-1-アザニウミルエチル](オキシド)ホスホリル}-2-({[1,1'-ビフェニル]-4-イル}メチル)プロパンアミド]プロパノアート
  • (2S)-2-[(2S)-3-{[(1S)-1-azaniumylethyl](oxido)phosphoryl}-2-({[1,1'-biphenyl]-4-yl}methyl)propanamido]propanoate
Other name (2)：
  • (S)-2-[[(S)-3-[[(S)-1-(Ammonio)ethyl]oxylato(oxo)phosphoranyl]-2-[(1,1′-biphenyl-4-yl)methyl]propionyl]amino]propanoate
  • CH-21
Thsaurus map：
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