Chem
J-GLOBAL ID:200907090339003369   Nikkaji number:J13.968H

Penicillin K

ペニシリンK
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: C16H26N2O4S
Molecular formula furigana: C16-H26-N2-O4-S
Molecular weight: 342.450
InChI: InChI=1S/C16H26N2O4S/c1-4-5-6-7-8-9-10(19)17-11-13(20)18-12(15(21)22)16(2,3)23-14(11)18/h11-12,14H,4-9H2,1-3H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
InChI key: XVASOOUVMJAZNJ-MBNYWOFBSA-N
SMILES: CCCCCCCC(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)O
Systematic name  (6):
  • 6α-[(1-オキソオクチル)アミノ]ペニシラン酸
  • (2S,5β)-3,3-ジメチル-7-オキソ-6α-[(1-オキソオクチル)アミノ]-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2β-カルボン酸
  • (2S,5β)-3,3-ジメチル-7-オキソ-6α-オクタノイルアミノ-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2β-カルボン酸
  • (6R)-6-(オクタノイルアミノ)ペニシラン酸
  • (2S,5R,6R)-3,3-ジメチル-6-オクタンアミド-7-オキソ-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2-カルボン酸
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Other name (12):
  • ペニシリンK
  • Penicillin K
  • ヘプチルペニシリン
  • Octanoylpenicillin
  • Penicillin A
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CAS registry number: 525-97-3
Regulation number (1):
  • XH9190000
KEGG COMPOUND: C17403
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