Chem
J-GLOBAL ID：200907027602782374   Nikkaji number：J357.363J

(S)-2-[[(R)-1-[(Isovaleryl-L-Val-L-Val-)amino]-3-methylbutyl]phosphonyloxy]-3-phenylpropionic acid methyl ester

(S)-2-[[(R)-1-[(イソバレリル-L-Val-L-Val-)アミノ]-3-メチルブチル]ホスホニルオキシ]-3-フェニルプロピオン酸メチル
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： C30H50N3O8P
Molecular formula furigana： C30-H50-N3-O8-P
Molecular weight： 611.717
InChI： InChI=1S/C30H50N3O8P/c1-18(2)15-24(34)31-26(20(5)6)29(36)33-27(21(7)8)28(35)32-25(16-19(3)4)42(38,39)41-23(30(37)40-9)17-22-13-11-10-12-14-22/h10-14,18-21,23,25-27H,15-17H2,1-9H3,(H,31,34)(H,32,35)(H,33,36)(H,38,39)/t23-,25+,26-,27-/m0/s1
InChI key： ZZHDLOZXEAHENM-KMQNXVAFSA-N
SMILES： COC(=O)[C@H](Cc1ccccc1)OP(=O)(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C
Systematic name  (3)：
  • (S)-2-[[(R)-1-[(イソバレリル-L-Val-L-Val-)アミノ]-3-メチルブチル]ホスホニルオキシ]-3-フェニルプロピオン酸メチル
  • {[(2S)-1-メトキシ-1-オキソ-3-フェニルプロパン-2-イル]オキシ}[(1R)-3-メチル-1-[(2S)-3-メチル-2-[(2S)-3-メチル-2-(3-メチルブタンアミド)ブタンアミド]ブタンアミド]ブチル]ホスフィン酸
  • {[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy}[(1R)-3-methyl-1-[(2S)-3-methyl-2-[(2S)-3-methyl-2-(3-methylbutanamido)butanamido]butanamido]butyl]phosphinic acid
Other name (1)：
  • (S)-2-[[(R)-1-[(Isovaleryl-L-Val-L-Val-)amino]-3-methylbutyl]phosphonyloxy]-3-phenylpropionic acid methyl ester
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