Chem
J-GLOBAL ID：200907098088321928   Nikkaji number：J357.364H

N-[(S)-2-[[(R)-1-[(Cbz-L-Ala-L-Ala-)Amino]-3-methylbutyl]phosphonyloxy]-3-phenylpropionyl]-L-Ala-L-Ala-OMe

N-[(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-フェニルプロピオニル]-L-Ala-L-Ala-OMe
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： C35H50N5O11P
Molecular formula furigana： C35-H50-N5-O11-P
Molecular weight： 747.783
InChI： InChI=1S/C35H50N5O11P/c1-21(2)18-29(40-32(43)23(4)36-31(42)24(5)39-35(46)50-20-27-16-12-9-13-17-27)52(47,48)51-28(19-26-14-10-8-11-15-26)33(44)37-22(3)30(41)38-25(6)34(45)49-7/h8-17,21-25,28-29H,18-20H2,1-7H3,(H,36,42)(H,37,44)(H,38,41)(H,39,46)(H,40,43)(H,47,48)/t22-,23-,24-,25-,28-,29+/m0/s1
InChI key： WDXHYSRHRZPPRB-CDTWFROCSA-N
SMILES： COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=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)：
  • N-[(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-フェニルプロピオニル]-L-Ala-L-Ala-OMe
  • [(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][(1S)-1-{[(1S)-1-{[(2S)-1-メトキシ-1-オキソプロパン-2-イル]カルバモイル}エチル]カルバモイル}-2-フェニルエトキシ]ホスフィン酸
  • [(1R)-1-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}propanamido]propanamido]-3-methylbutyl][(1S)-1-{[(1S)-1-{[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl}ethyl]carbamoyl}-2-phenylethoxy]phosphinic acid
Other name (1)：
  • N-[(S)-2-[[(R)-1-[(Cbz-L-Ala-L-Ala-)Amino]-3-methylbutyl]phosphonyloxy]-3-phenylpropionyl]-L-Ala-L-Ala-OMe
Thsaurus map：
Thesaurus Map

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