Chem
J-GLOBAL ID：201607020824180624   Nikkaji number：J3.504.132J

Biakamide C

ビアカミドC
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： C27H42ClN3O3S
Molecular formula furigana： C27-H42-CL-N3-O3-S
Molecular weight： 524.159
InChI： InChI=1S/C27H42ClN3O3S/c1-20(10-11-24(18-28)9-8-13-30(5)26(32)17-23(4)34-7)15-21(2)16-22(3)27(33)31(6)19-25-29-12-14-35-25/h12,14,16-18,20-21H,8-11,13,15,19H2,1-7H3/b22-16?,23-17?,24-18-/t20-,21+/m0/s1
InChI key： XFUBJKQWCJERLE-GVZKYXOOSA-N
SMILES： COC(=CC(=O)N(C)CCC/C(=C/Cl)/CC[C@H](C)C[C@@H](C)C=C(C)C(=O)N(C)Cc1nccs1)C
Systematic name  (3)：
  • (4R,6S)-N-メチル-N-(2-チアゾリルメチル)-4,6-ジメチル-9-[(E)-クロロメチレン]-12-[メチル(3-メトキシ-2-ブテノイル)アミノ]ドデカン-2-エン-2-カルボアミド
  • (4R,6S,9E)-9-(クロロメチリデン)-12-(3-メトキシ-N-メチルブタ-2-エンアミド)-N,2,4,6-テトラメチル-N-[(1,3-チアゾール-2-イル)メチル]ドデカ-2-エンアミド
  • (4R,6S,9E)-9-(chloromethylidene)-12-(3-methoxy-N-methylbut-2-enamido)-N,2,4,6-tetramethyl-N-[(1,3-thiazol-2-yl)methyl]dodec-2-enamide
Other name (3)：
  • (4R,6S)-N-Methyl-N-(2-thiazolylmethyl)-4,6-dimethyl-9-[(E)-chloromethylene]-12-[methyl(3-methoxy-2-butenoyl)amino]dodecane-2-ene-2-carboxamide
  • ビアカミドC
  • Biakamide C
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