Chem
J-GLOBAL ID：200907006030510699   Nikkaji number：J41.468I

Clavamycin A

クラバマイシン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： C16H21N3O9
Molecular formula furigana： C16-H21-N3-O9
Molecular weight： 399.356
InChI： InChI=1S/C16H21N3O9/c20-6(7-4-18-10(22)2-12(18)27-7)1-9(21)17-14(16(25)26)15(24)8-5-19-11(23)3-13(19)28-8/h6-8,12-15,20,24H,1-5H2,(H,17,21)(H,25,26)
InChI key： VKCJJEKMGFSWIM-UHFFFAOYSA-N
SMILES： OC(CC(=O)NC(C(O)C1CN2C(CC2=O)O1)C(=O)O)C1CN2C(CC2=O)O1
Systematic name  (3)：
  • 3-(7-オキソ-4-オキサ-1-アザビシクロ[3.2.0]ヘプタン-3-イル)-2-[3-(7-オキソ-4-オキサ-1-アザビシクロ[3.2.0]ヘプタン-3-イル)-3-ヒドロキシプロパノイルアミノ]-3-ヒドロキシプロピオン酸
  • 3-ヒドロキシ-2-(3-ヒドロキシ-3-{7-オキソ-4-オキサ-1-アザビシクロ[3.2.0]ヘプタン-3-イル}プロパンアミド)-3-{7-オキソ-4-オキサ-1-アザビシクロ[3.2.0]ヘプタン-3-イル}プロパン酸
  • 3-hydroxy-2-(3-hydroxy-3-{7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl}propanamido)-3-{7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl}propanoic acid
Other name (3)：
  • クラバマイシンA
  • Clavamycin A
  • 3-(7-Oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)-2-[3-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)-3-hydroxypropanoylamino]-3-hydroxypropionic acid
CAS registry number： 103059-93-4
KEGG COMPOUND： C06667
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