Chem
J-GLOBAL ID：200907095166347549   Nikkaji number：J1.676.546E

N-[(R)-2-[(2S)-2-[(4-Amidinobenzyl)carbamoyl]azetidine-1-yl]-1-cyclohexyl-2-oxoethyl](2,2-2H2-1,2-13C2)glycine

N-[(R)-2-[(2S)-2-[(4-アミジノベンジル)カルバモイル]アゼチジン-1-イル]-1-シクロヘキシル-2-オキソエチル](2,2-2H2-1,2-13C2)グリシン
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： C20[13C]2H29[2H]2N5O4
Molecular formula furigana： C22-H31-N5-O4
Molecular weight： 433.518
InChI： InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1/i13+1D2,18+1
InChI key： DKWNMCUOEDMMIN-JTAVXOLVSA-N
SMILES： [13C]([2H])([2H])(N[C@H](C1CCCCC1)C(=O)N1CC[C@H]1C(=O)NCc1ccc(cc1)C(=N)N)[13C](=O)O
Systematic name  (3)：
  • N-[(R)-2-[(2S)-2-[(4-アミジノベンジル)カルバモイル]アゼチジン-1-イル]-1-シクロヘキシル-2-オキソエチル](2,2-2H2-1,2-13C2)グリシン
  • 2-{[(1R)-2-[(2S)-2-{[(4-カルバムイミドイルフェニル)メチル]カルバモイル}アゼチジン-1-イル]-1-シクロヘキシル-2-オキソエチル]アミノ}(1,2-13C2,2H2)酢酸
  • 2-{[(1R)-2-[(2S)-2-{[(4-carbamimidoylphenyl)methyl]carbamoyl}azetidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino}(1,2-13C2,2H2)acetic acid
Other name (1)：
  • N-[(R)-2-[(2S)-2-[(4-Amidinobenzyl)carbamoyl]azetidine-1-yl]-1-cyclohexyl-2-oxoethyl](2,2-2H2-1,2-13C2)glycine
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM