Chem
J-GLOBAL ID：200907099893190054   Nikkaji number：J1.993.576K

Kendarimide A

ケンダリミドA
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： C83H134N14O15S2
Molecular formula furigana： C83-H134-N14-O15-S2
Molecular weight： 1632.190
InChI： InChI=1S/C83H134N14O15S2/c1-29-53(14)70(97(28)75(104)59(43-57-38-34-31-35-39-57)85-71(100)60-40-41-63(99)88(60)19)83(112)87(18)55(16)74(103)92(23)67(50(8)9)80(109)95(26)69(52(12)13)82(111)96(27)68(51(10)11)81(110)93(24)64(47(2)3)77(106)86(17)54(15)73(102)91(22)66(49(6)7)79(108)94(25)65(48(4)5)78(107)90(21)62-46-114-113-45-61(89(20)76(62)105)72(101)84-58(44-98)42-56-36-32-30-33-37-56/h30-39,47-55,58-62,64-70,98H,29,40-46H2,1-28H3,(H,84,101)(H,85,100)/t53-,54-,55-,58-,59-,60-,61-,62-,64-,65-,66-,67-,68-,69-,70-/m0/s1
InChI key： VAUZQYYLEOVLHG-HZGBYFRMSA-N
SMILES： CC[C@H](C)[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@H]1CSSC[C@H](N(C)C1=O)C(=O)N[C@H](CO)Cc1ccccc1
Systematic name  (3)：
  • 1-メチル-5-オキソ-L-Pro-L-Phe-N-メチル-L-Ile-N-メチル-L-Ala-N-メチル-L-Val-N-メチル-L-Val-N-メチル-L-Val-N-メチル-L-Val-N-メチル-L-Ala-N-メチル-L-Val-N-メチル-L-Val-N-メチル-L-Cys(1)-N-メチル-L-Cys(1)-[(S)-1-ベンジル-2-ヒドロキシエチル]NH2
  • (4R,7R)-7-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-N,3-ジメチル-2-[(2S)-N-メチル-2-{[(2S)-1-メチル-5-オキソピロリジン-2-イル]ホルムアミド}-3-フェニルプロパンアミド]ペンタンアミド]-N-メチルプロパンアミド]-N,3-ジメチルブタンアミド]-N,3-ジメチルブタンアミド]-N,3-ジメチルブタンアミド]-N,3-ジメチルブタンアミド]-N-メチルプロパンアミド]-N,3-ジメチルブタンアミド]-N,3-ジメチルブタンアミド]-N-[(2S)-1-ヒドロキシ-3-フェニルプロパン-2-イル]-5-メチル-6-オキソ-1,2,5-ジチアゾカン-4-カルボキサミド
  • (4R,7R)-7-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-N,3-dimethyl-2-[(2S)-N-methyl-2-{[(2S)-1-methyl-5-oxopyrrolidin-2-yl]formamido}-3-phenylpropanamido]pentanamido]-N-methylpropanamido]-N,3-dimethylbutanamido]-N,3-dimethylbutanamido]-N,3-dimethylbutanamido]-N,3-dimethylbutanamido]-N-methylpropanamido]-N,3-dimethylbutanamido]-N,3-dimethylbutanamido]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-6-oxo-1,2,5-dithiazocane-4-carboxamide
Other name (3)：
  • 1-Methyl-5-oxo-L-Pro-L-Phe-N-methyl-L-Ile-N-methyl-L-Ala-N-methyl-L-Val-N-methyl-L-Val-N-methyl-L-Val-N-methyl-L-Val-N-methyl-L-Ala-N-methyl-L-Val-N-methyl-L-Val-N-methyl-L-Cys(1)-N-methyl-L-Cys(1)-[(S)-1-benzyl-2-hydroxyethyl]NH2
  • ケンダリミドA
  • Kendarimide A
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