Chem
J-GLOBAL ID：200907047042806494   Nikkaji number：J1.402.559F

CP-72647

N-Boc-L-Phe-L-His-[(1S,2S,4R)-1-(シクロヘキシルメチル)-2-ヒドロキシ-4-(メチルカルバモイル)-6-メチルヘプチル]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： C37H58N6O6
Molecular formula furigana： C37-H58-N6-O6
Molecular weight： 682.907
InChI： InChI=1S/C37H58N6O6/c1-24(2)17-27(33(45)38-6)20-32(44)29(18-25-13-9-7-10-14-25)41-35(47)31(21-28-22-39-23-40-28)42-34(46)30(19-26-15-11-8-12-16-26)43-36(48)49-37(3,4)5/h8,11-12,15-16,22-25,27,29-32,44H,7,9-10,13-14,17-21H2,1-6H3,(H,38,45)(H,39,40)(H,41,47)(H,42,46)(H,43,48)/t27-,29+,30+,31+,32+/m1/s1
InChI key： REDPJRNIRCVACW-UGMRNKNYSA-N
SMILES： CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Systematic name  (3)：
  • N-Boc-L-Phe-L-His-[(1S,2S,4R)-1-(シクロヘキシルメチル)-2-ヒドロキシ-4-(メチルカルバモイル)-6-メチルヘプチル]NH2
  • tert-ブチル N-[(1S)-1-{[(1S)-1-{[(2S,3S,5R)-1-シクロヘキシル-3-ヒドロキシ-5-(メチルカルバモイル)-5-(2-メチルプロピル)ペンタン-2-イル]カルバモイル}-2-(1H-イミダゾール-4-イル)エチル]カルバモイル}-2-フェニルエチル]カルバマート
  • tert-butyl N-[(1S)-1-{[(1S)-1-{[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-(methylcarbamoyl)-5-(2-methylpropyl)pentan-2-yl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-phenylethyl]carbamate
Other name (2)：
  • N-Boc-L-Phe-L-His-[(1S,2S,4R)-1-(Cyclohexylmethyl)-2-hydroxy-4-(methylcarbamoyl)-6-methylheptyl]NH2
  • CP-72647
Thsaurus map：
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