Chem
J-GLOBAL ID:200907061969125551   Nikkaji number:J357.370B

[[[(R)-2-[(Isovaleryl-L-Val-)amino]-3-methylbutyl]hydroxyphosphinyl]acetyl]-L-Ala-(3-methylbutyl)-NH2

[[[(R)-2-[(イソバレリル-L-Val-)アミノ]-3-メチルブチル]ヒドロキシホスフィニル]アセチル]-L-Ala-(3-メチルブチル)-NH2
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: C25H49N4O6P
Molecular formula furigana: C25-H49-N4-O6-P
Molecular weight: 532.663
InChI: InChI=1S/C25H49N4O6P/c1-15(2)10-11-26-24(32)19(9)27-22(31)14-36(34,35)13-20(17(5)6)28-25(33)23(18(7)8)29-21(30)12-16(3)4/h15-20,23H,10-14H2,1-9H3,(H,26,32)(H,27,31)(H,28,33)(H,29,30)(H,34,35)/t19-,20-,23-/m0/s1
InChI key: NWYBKGAEGMPGKV-JTAQYXEDSA-N
SMILES: CC(C)CCNC(=O)[C@H](C)NC(=O)CP(=O)(O)C[C@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C
Systematic name  (3):
  • [[[(R)-2-[(イソバレリル-L-Val-)アミノ]-3-メチルブチル]ヒドロキシホスフィニル]アセチル]-L-Ala-(3-メチルブチル)-NH2
  • [(2R)-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]ブチル]({[(1S)-1-[(3-メチルブチル)カルバモイル]エチル]カルバモイル}メチル)ホスフィン酸
  • [(2R)-3-methyl-2-[(2S)-3-methyl-2-(3-methylbutanamido)butanamido]butyl]({[(1S)-1-[(3-methylbutyl)carbamoyl]ethyl]carbamoyl}methyl)phosphinic acid
Other name (1):
  • [[[(R)-2-[(Isovaleryl-L-Val-)amino]-3-methylbutyl]hydroxyphosphinyl]acetyl]-L-Ala-(3-methylbutyl)-NH2
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