Chem
J-GLOBAL ID：200907045871168460   Nikkaji number：J556.819F

Tuberactinomycin O

ツベルアクチノマイシンO
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： C25H43N13O9
Molecular formula furigana： C25-H43-N13-O9
Molecular weight： 669.701
InChI： InChI=1S/C25H43N13O9/c26-4-1-2-11(27)6-17(41)33-13-7-31-23(46)18(12-3-5-30-24(28)37-12)38-20(43)14(8-32-25(29)47)34-21(44)15(9-39)36-22(45)16(10-40)35-19(13)42/h8,11-13,15-16,18,39-40H,1-7,9-10,26-27H2,(H,31,46)(H,33,41)(H,34,44)(H,35,42)(H,36,45)(H,38,43)(H3,28,30,37)(H3,29,32,47)/t11-,12+,13?,15?,16?,18?/m0/s1
InChI key： IJLXXTHFOUHWGE-XSDNCQTNSA-N
SMILES： NCCC[C@H](N)CC(=O)NC1CNC(=O)C(NC(=O)C(=CNC(=O)N)NC(=O)C(CO)NC(=O)C(CO)NC1=O)[C@H]1CCNC(=N1)N
Systematic name  (3)：
  • N2-(L-βLys-)シクロ[L-A2pr*-3-ヒドロキシ-L-Ala-3-ヒドロキシ-L-Ala-3-(カルバモイルアミノ)Dha-2-[[(4R)-2-アミノ-1,4,5,6-テトラヒドロピリミジン]-4-イル]-L-Gly-]
  • (3S)-3,6-ジアミノ-N-[(3S,9S,12S,15S)-3-[(4R)-2-アミノ-1,4,5,6-テトラヒドロピリミジン-4-イル]-6-[(カルバモイルアミノ)メチリデン]-9,12-ビス(ヒドロキシメチル)-2,5,8,11,14-ペンタオキソ-1,4,7,10,13-ペンタアザシクロヘキサデカン-15-イル]ヘキサンアミド
  • (3S)-3,6-diamino-N-[(3S,9S,12S,15S)-3-[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-15-yl]hexanamide
Other name (3)：
  • ツベルアクチノマイシンO
  • Tuberactinomycin O
  • N2-(L-βLys-)Cyclo[L-A2pr*-3-hydroxy-L-Ala-3-hydroxy-L-Ala-3-(carbamoylamino)Dha-2-[[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin]-4-yl]-L-Gly-]
CAS registry number： 33137-73-4
Application (1)：
peptide antibiotics
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