Chem
J-GLOBAL ID：200907040728803446   Nikkaji number：J770.218C

Arthrichitin

アルトリキチン
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： C33H46N4O9
Molecular formula furigana： C33-H46-N4-O9
Molecular weight： 642.750
InChI： InChI=1S/C33H46N4O9/c1-4-5-6-7-8-9-12-19(2)29-20(3)30(42)35-24(15-16-26(39)40)31(43)37-27(32(44)36-25(18-38)33(45)46-29)28(41)22-17-34-23-14-11-10-13-21(22)23/h10-11,13-14,17,19-20,24-25,27,29,34,38H,4-9,12,15-16,18H2,1-3H3,(H,35,42)(H,36,44)(H,37,43)(H,39,40)/t19?,20?,24-,25?,27?,29?/m0/s1
InChI key： VNRAPWIEXZLTKI-UCWCTOOSSA-N
SMILES： CCCCCCCCC(C)C1OC(=O)C(CO)NC(=O)C(NC(=O)[C@H](CCC(=O)O)NC(=O)C1C)C(=O)c1c[nH]c2ccccc12
Systematic name  (3)：
  • (3S,9S)-2,5,8,11-テトラオキソ-3-(ヒドロキシメチル)-6-[(1H-インドール-3-イル)カルボニル]-12-メチル-13-(1-メチルノニル)-1-オキサ-4,7,10-トリアザシクロトリデカン-9-プロパン酸
  • 3-[(3S,9S)-13-(デカン-2-イル)-3-(ヒドロキシメチル)-6-(1H-インドール-3-カルボニル)-12-メチル-2,5,8,11-テトラオキソ-1-オキサ-4,7,10-トリアザシクロトリデカン-9-イル]プロパン酸
  • 3-[(3S,9S)-13-(decan-2-yl)-3-(hydroxymethyl)-6-(1H-indole-3-carbonyl)-12-methyl-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridecan-9-yl]propanoic acid
Other name (3)：
  • アルトリキチン
  • Arthrichitin
  • (3S,9S)-2,5,8,11-Tetraoxo-3-(hydroxymethyl)-6-[(1H-indol-3-yl)carbonyl]-12-methyl-13-(1-methylnonyl)-1-oxa-4,7,10-triazacyclotridecane-9-propanoic acid
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