Chem
J-GLOBAL ID:200907057123676450
Nikkaji number:J1.053.024E
Martinellic acid
マルチネリン酸
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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:
C27 H41 N7 O2
Molecular formula furigana:
C27-H41-N7-O2
Molecular weight:
495.672
InChI:
InChI=1S/C27H41N7O2/c1-17(2)9-13-31-26(28)30-12-5-6-22-20-11-15-34(27(29)32-14-10-18(3)4)24(20)21-16-19(25(35)36)7-8-23(21)33-22/h7-10,16,20,22,24,33H,5-6,11-15H2,1-4H3,(H2,29,32)(H,35,36)(H3,28,30,31)/t20-,22-,24-/m0/s1
InChI key:
LUENCTUIABKZJY-SSPYTLHUSA-N
SMILES:
CC(=CCNC(=N)NCCC[C@@H]1Nc2ccc(cc2[C@@H]2[C@H]1CCN2C(=N)NCC=C(C)C)C(=O)O)C
Systematic name (3):
(3aS)-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
(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-カルボン酸
(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-carboxylic acid
Other name (6):
(3aS)-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
マルチネリン酸
Martinellic acid
(-)-マルチネル酸
(-)-Martinellic acid
(-)-マルチネリン酸
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