Chem
J-GLOBAL ID：200907032769794246   Nikkaji number：J357.362A

(S)-2-[[(R)-1-[(Cbz-L-Ala-L-Ala-)Amino]-3-methylbutyl]phosphonyloxy]-3-phenylpropionic acid methyl ester

(S)-2-[[(R)-1-[(Cbz-L-Ala-L-Ala-)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： C29H40N3O9P
Molecular formula furigana： C29-H40-N3-O9-P
Molecular weight： 605.625
InChI： InChI=1S/C29H40N3O9P/c1-19(2)16-25(42(37,38)41-24(28(35)39-5)17-22-12-8-6-9-13-22)32-27(34)20(3)30-26(33)21(4)31-29(36)40-18-23-14-10-7-11-15-23/h6-15,19-21,24-25H,16-18H2,1-5H3,(H,30,33)(H,31,36)(H,32,34)(H,37,38)/t20-,21-,24-,25+/m0/s1
InChI key： VWCUANLUSQBJLX-WIHVIGOGSA-N
SMILES： COC(=O)[C@H](Cc1ccccc1)OP(=O)(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1
Systematic name  (3)：
  • (S)-2-[[(R)-1-[(Cbz-L-Ala-L-Ala-)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
  • [(1R)-1-[(2S)-2-[(2S)-2-{[(ベンジルオキシ)カルボニル]アミノ}プロパンアミド]プロパンアミド]-3-メチルブチル]({[(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})ホスフィン酸
  • [(1R)-1-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}propanamido]propanamido]-3-methylbutyl]({[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy})phosphinic acid
Other name (1)：
  • (S)-2-[[(R)-1-[(Cbz-L-Ala-L-Ala-)Amino]-3-methylbutyl]phosphonyloxy]-3-phenylpropionic acid methyl ester
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