Chem
J-GLOBAL ID：201707010521934229   Nikkaji number：J3.541.102J

N-Octyl-Nα-[4β-(aminomethyl)cyclohexane-1α-ylcarbonyl]-O-(2-quinolinylmethyl)-L-tyrosinamide

N-オクチル-Nα-[4β-(アミノメチル)シクロヘキサン-1α-イルカルボニル]-O-(2-キノリニルメチル)-L-チロシンアミド
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： C35H48N4O3
Molecular formula furigana： C35-H48-N4-O3
Molecular weight： 572.794
InChI： InChI=1S/C35H48N4O3/c1-2-3-4-5-6-9-22-37-35(41)33(39-34(40)29-16-12-27(24-36)13-17-29)23-26-14-20-31(21-15-26)42-25-30-19-18-28-10-7-8-11-32(28)38-30/h7-8,10-11,14-15,18-21,27,29,33H,2-6,9,12-13,16-17,22-25,36H2,1H3,(H,37,41)(H,39,40)/t27-,29-,33-/m0/s1
InChI key： ZGUNTZKJIWJKEH-GSZYCOFVSA-N
SMILES： CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc3ccccc3n2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1
Systematic name  (3)：
  • N-オクチル-Nα-[4β-(アミノメチル)シクロヘキサン-1α-イルカルボニル]-O-(2-キノリニルメチル)-L-チロシンアミド
  • (2S)-N-オクチル-3-{4-[(キノリン-2-イル)メトキシ]フェニル}-2-{[(1r,4r)-4-(アミノメチル)シクロヘキシル]ホルムアミド}プロパンアミド
  • (2S)-N-octyl-3-{4-[(quinolin-2-yl)methoxy]phenyl}-2-{[(1r,4r)-4-(aminomethyl)cyclohexyl]formamido}propanamide
Other name (1)：
  • N-Octyl-Nα-[4β-(aminomethyl)cyclohexane-1α-ylcarbonyl]-O-(2-quinolinylmethyl)-L-tyrosinamide
Thsaurus map：
Thesaurus Map

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