Chem
J-GLOBAL ID：200907030916153089   Nikkaji number：J1.596.042F

NPTX-594

NPTX-594
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： C28H50N8O6
Molecular formula furigana： C28-H50-N8-O6
Molecular weight： 594.758
InChI： InChI=1S/C28H50N8O6/c29-10-2-1-7-22(30)27(41)34-16-6-14-33-13-5-12-32-11-3-4-15-35-28(42)23(19-25(31)39)36-26(40)17-20-8-9-21(37)18-24(20)38/h8-9,18,22-23,32-33,37-38H,1-7,10-17,19,29-30H2,(H2,31,39)(H,34,41)(H,35,42)(H,36,40)/t22-,23-/m0/s1
InChI key： RDNJCBDOMDLUES-GOTSBHOMSA-N
SMILES： NCCCC[C@H](N)C(=O)NCCCNCCCNCCCCNC(=O)[C@H](CC(=O)N)NC(=O)Cc1ccc(O)cc1O
Systematic name  (4)：
  • N-[3-[[3-[[4-[[N2-(α-オキソ-2,4-ジヒドロキシフェネチル)-L-アスパラギニル]アミノ]ブチル]アミノ]プロピル]アミノ]プロピル]-L-リシンアミド
  • N-[4-[3-[3-(リシルアミノ)プロピルアミノ]プロピルアミノ]ブチル]-Nα-(2,4-ジヒドロキシフェニルアセチル)-3-カルバモイルアラニンアミド
  • (2S)-N-(4-{[3-({3-[(2S)-2,6-ジアミノヘキサンアミド]プロピル}アミノ)プロピル]アミノ}ブチル)-2-[2-(2,4-ジヒドロキシフェニル)アセトアミド]ブタンジアミド
  • (2S)-N-(4-{[3-({3-[(2S)-2,6-diaminohexanamido]propyl}amino)propyl]amino}butyl)-2-[2-(2,4-dihydroxyphenyl)acetamido]butanediamide
Other name (3)：
  • N-[3-[[3-[[4-[[N2-(α-Oxo-2,4-dihydroxyphenethyl)-L-asparaginyl]amino]butyl]amino]propyl]amino]propyl]-L-lysinamide
  • NPTX-594
  • N-[4-[3-[3-(Lysylamino)propylamino]propylamino]butyl]-Nα-(2,4-dihydroxyphenylacetyl)-3-carbamoylalaninamide
Thsaurus map：
Thesaurus Map

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