Chem
J-GLOBAL ID:200907001706884560   Nikkaji number:J835.314J

Nα-[11-[(14,16β-Dihydroxy-5β-card-20(22)-enolid-3β-yl)oxycarbonyl]undecanoyl]-L-arginine

Nα-[11-[(14,16β-ジヒドロキシ-5β-カルダ-20(22)-エノリド-3β-イル)オキシカルボニル]ウンデカノイル]-L-アルギニン
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: C41H66N4O9
Molecular formula furigana: C41-H66-N4-O9
Molecular weight: 758.998
InChI: InChI=1S/C41H66N4O9/c1-39-19-17-28(23-27(39)15-16-30-29(39)18-20-40(2)36(26-22-35(49)53-25-26)32(46)24-41(30,40)52)54-34(48)14-10-8-6-4-3-5-7-9-13-33(47)45-31(37(50)51)12-11-21-44-38(42)43/h22,27-32,36,46,52H,3-21,23-25H2,1-2H3,(H,45,47)(H,50,51)(H4,42,43,44)/t27-,28+,29+,30-,31+,32+,36+,39+,40-,41+/m1/s1
InChI key: WRKGDVUDMOECJV-OVQPSWSHSA-N
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](CC[C@]34C)OC(=O)CCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@]1(O)C[C@H](O)[C@@H]2C1=CC(=O)OC1
Systematic name  (3):
  • Nα-[11-[(14,16β-ジヒドロキシ-5β-カルダ-20(22)-エノリド-3β-イル)オキシカルボニル]ウンデカノイル]-L-アルギニン
  • (2S)-2-(12-{[(1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-2,3a-ジヒドロキシ-9a,11a-ジメチル-1-(5-オキソ-2,5-ジヒドロフラン-3-イル)-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル]オキシ}-12-オキソドデカンアミド)-5-カルバムイミドアミドペンタン酸
  • (2S)-2-(12-{[(1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-2,3a-dihydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-12-oxododecanamido)-5-carbamimidamidopentanoic acid
Other name (1):
  • Nα-[11-[(14,16β-Dihydroxy-5β-card-20(22)-enolid-3β-yl)oxycarbonyl]undecanoyl]-L-arginine
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