Chem
J-GLOBAL ID：200907004521192009   Nikkaji number：J1.033.275C

Dianthin A

ジアンチン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： C33H43N7O8
Molecular formula furigana： C33-H43-N7-O8
Molecular weight： 665.748
InChI： InChI=1S/C33H43N7O8/c1-18(2)13-23-31(46)36-19(3)29(44)38-25(15-21-9-11-22(41)12-10-21)32(47)40-26(16-27(34)42)33(48)39-24(14-20-7-5-4-6-8-20)30(45)35-17-28(43)37-23/h4-12,18-19,23-26,41H,13-17H2,1-3H3,(H2,34,42)(H,35,45)(H,36,46)(H,37,43)(H,38,44)(H,39,48)(H,40,47)/t19-,23-,24-,25-,26-/m0/s1
InChI key： WBVXMGDUMBMSJF-YPOOPGCJSA-N
SMILES： CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC1=O
Systematic name  (3)：
  • シクロ(L-Ala-L-Tyr-L-Asn-L-Phe-Gly-L-Leu-)
  • 2-[(2S,5S,11S,14S,17S)-5-ベンジル-17-[(4-ヒドロキシフェニル)メチル]-14-メチル-11-(2-メチルプロピル)-3,6,9,12,15,18-ヘキサオキソ-1,4,7,10,13,16-ヘキサアザシクロオクタデカン-2-イル]アセトアミド
  • 2-[(2S,5S,11S,14S,17S)-5-benzyl-17-[(4-hydroxyphenyl)methyl]-14-methyl-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl]acetamide
Other name (3)：
  • Cyclo(L-Ala-L-Tyr-L-Asn-L-Phe-Gly-L-Leu-)
  • ジアンチンA
  • Dianthin A
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