Chem
J-GLOBAL ID：200907029285555700   Nikkaji number：J67.500H

Capreomycin IB

カプレオマイシンIB
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： C25H44N14O7
Molecular formula furigana： C25-H44-N14-O7
Molecular weight： 652.718
InChI： InChI=1S/C25H44N14O7/c1-11-19(41)36-15(9-32-17(40)7-12(27)3-2-5-26)21(43)37-16(10-34-25(30)46)22(44)39-18(14-4-6-31-24(29)38-14)23(45)33-8-13(28)20(42)35-11/h10-15,18H,2-9,26-28H2,1H3,(H,32,40)(H,33,45)(H,35,42)(H,36,41)(H,37,43)(H,39,44)(H3,29,31,38)(H3,30,34,46)/b16-10-/t11-,12-,13-,14+,15?,18-/m0/s1
InChI key： FRXNXDHFQYZYNA-PCGMJMHZSA-N
SMILES： C[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@@H](NC(=O)/C(=C/NC(=O)N)/NC(=O)C(CNC(=O)C[C@@H](N)CCCN)NC1=O)[C@H]1CCNC(=N)N1
Systematic name  (3)：
  • シクロ[A2pr*-Ala-N3-[(3S)-3,6-ジアミノ-1-オキソヘキシル]A2pr-2-[(Z)-アミノカルボニルアミノメチレン]Gly-2-[(4R)-2-イミノヘキサヒドロピリミジン-4-イル]Gly-]
  • (3S)-3,6-ジアミノ-N-{[(2S,5S,8Z,11S,15S)-15-アミノ-8-[(カルバモイルアミノ)メチリデン]-11-[(4R)-2-イミノ-1,3-ジアジナン-4-イル]-2-メチル-3,6,9,12,16-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-5-イル]メチル}ヘキサンアミド
  • (3S)-3,6-diamino-N-{[(2S,5S,8Z,11S,15S)-15-amino-8-[(carbamoylamino)methylidene]-11-[(4R)-2-imino-1,3-diazinan-4-yl]-2-methyl-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-5-yl]methyl}hexanamide
Other name (5)：
  • 6-L-Alaninecapreomycin IA
  • Capreomycin IB
  • 6-L-アラニンカプレオマイシンIA
  • カプレオマイシンIB
  • Cyclo[A2pr*-Ala-N3-[(3S)-3,6-diamino-1-oxohexyl]A2pr-2-[(Z)-aminocarbonylaminomethylene]Gly-2-[(4R)-2-iminohexahydropyrimidine-4-yl]Gly-]
CAS registry number： 33490-33-4
Regulation number (1)：
  • EX8927000
Application (1)：
peptide antibiotics
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