Chem
J-GLOBAL ID：200907095721070370   Nikkaji number：J2.757.355J

TPI-1361-17

N-[3-[(4S)-3-[2-(3-フルオロフェニル)エチル]-1-[(S)-1-メチル-2-[(フェニルメチル)アミノ]エチル]-2-チオキソ-4-イミダゾリジニル]プロピル]グアニジン
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： C25H35FN6S
Molecular formula furigana： C25-H35-F-N6-S
Molecular weight： 470.660
InChI： InChI=1S/C25H35FN6S/c1-19(16-29-17-21-7-3-2-4-8-21)32-18-23(11-6-13-30-24(27)28)31(25(32)33)14-12-20-9-5-10-22(26)15-20/h2-5,7-10,15,19,23,29H,6,11-14,16-18H2,1H3,(H4,27,28,30)/t19-,23-/m0/s1
InChI key： DSJVYEAOYVHUJW-CVDCTZTESA-N
SMILES： C[C@@H](CNCc1ccccc1)N1C[C@H](CCCNC(=N)N)N(CCc2cccc(F)c2)C1=S
Systematic name  (3)：
  • N-[3-[(4S)-3-[2-(3-フルオロフェニル)エチル]-1-[(S)-1-メチル-2-[(フェニルメチル)アミノ]エチル]-2-チオキソ-4-イミダゾリジニル]プロピル]グアニジン
  • N-{3-[(4S)-1-[(2S)-1-(ベンジルアミノ)プロパン-2-イル]-3-[2-(3-フルオロフェニル)エチル]-2-スルファニリデンイミダゾリジン-4-イル]プロピル}グアニジン
  • N-{3-[(4S)-1-[(2S)-1-(benzylamino)propan-2-yl]-3-[2-(3-fluorophenyl)ethyl]-2-sulfanylideneimidazolidin-4-yl]propyl}guanidine
Other name (2)：
  • N-[3-[(4S)-3-[2-(3-Fluorophenyl)ethyl]-1-[(S)-1-methyl-2-[(phenylmethyl)amino]ethyl]-2-thioxo-4-imidazolidinyl]propyl]guanidine
  • TPI-1361-17
CAS registry number： 1055030-06-2
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