Chem
J-GLOBAL ID：200907099481224175   Nikkaji number：J795.558H

Martinelline

マルチネリン
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： C32H50N10O2
Molecular formula furigana： C32-H50-N10-O2
Molecular weight： 606.820
InChI： InChI=1S/C32H50N10O2/c1-20(2)10-15-39-31(35)38-14-6-7-26-24-13-18-42(32(36)40-16-11-21(3)4)28(24)25-19-23(8-9-27(25)41-26)29(43)44-22(5)12-17-37-30(33)34/h8-12,19,24,26,28,41H,6-7,13-18H2,1-5H3,(H2,36,40)(H4,33,34,37)(H3,35,38,39)/t24-,26-,28-/m0/s1
InChI key： NWSJKXGKMZTGHZ-MPYJOUPCSA-N
SMILES： CC(=CCNC(=N)NCCC[C@@H]1Nc2ccc(cc2[C@@H]2[C@H]1CCN2C(=N)NCC=C(C)C)C(=O)OC(=CCNC(=N)N)C)C
Systematic name  (3)：
  • 1-[N1-(3-メチル-2-ブテニル)アミジノ]-4α-[3-[3-(3-メチル-2-ブテニル)グアニジノ]プロピル]-2,3,3aα,4,5,9bα-ヘキサヒドロ-1H-ピロロ[3,2-c]キノリン-8-カルボン酸1-メチル-3-グアニジノ-1-プロペニル
  • 4-カルバムイミドアミドブタ-2-エン-2-イル (3aS,4S,9bS)-4-{3-[N'-(3-メチルブタ-2-エン-1-イル)カルバムイミドアミド]プロピル}-1-[N-(3-メチルブタ-2-エン-1-イル)カルバムイミドイル]-1H,2H,3H,3aH,4H,5H,9bH-ピロロ[3,2-c]キノリン-8-カルボキシラート
  • 4-carbamimidamidobut-2-en-2-yl (3aS,4S,9bS)-4-{3-[N'-(3-methylbut-2-en-1-yl)carbamimidamido]propyl}-1-[N-(3-methylbut-2-en-1-yl)carbamimidoyl]-1H,2H,3H,3aH,4H,5H,9bH-pyrrolo[3,2-c]quinoline-8-carboxylate
Other name (3)：
  • マルチネリン
  • Martinelline
  • 1-[N1-(3-Methyl-2-butenyl)amidino]-4α-[3-[3-(3-methyl-2-butenyl)guanidino]propyl]-2,3,3aα,4,5,9bα-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-carboxylic acid 1-methyl-3-guanidino-1-propenyl ester
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