Chem
J-GLOBAL ID：200907091288170873   Nikkaji number：J221.705H

OA-6129D

抗生物質OA-6129D
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： C20H33N3O8S
Molecular formula furigana： C20-H33-N3-O8-S
Molecular weight： 475.560
InChI： InChI=1S/C20H33N3O8S/c1-10(25)14-11-8-12(15(19(30)31)23(11)18(14)29)32-7-6-21-13(26)4-5-22-17(28)16(27)20(2,3)9-24/h10-12,14-16,24-25,27H,4-9H2,1-3H3,(H,21,26)(H,22,28)(H,30,31)/t10-,11+,12-,14-,15+,16-/m0/s1
InChI key： IDHUQZYNJINFBS-KZQACRCDSA-N
SMILES： C[C@H](O)[C@H]1[C@H]2C[C@H](SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO)[C@@H](N2C1=O)C(=O)O
Systematic name  (3)：
  • (2S,5β)-3β-[[2-[[3-[[(R)-2,4-ジヒドロキシ-3,3-ジメチル-1-オキソブチル]アミノ]-1-オキソプロピル]アミノ]エチル]チオ]-6α-[(S)-1-ヒドロキシエチル]-7-オキソ-1-アザビシクロ[3.2.0]ヘプタン-2β-カルボン酸
  • (2S,3S,5R,6R)-3-[(2-{3-[(2R)-2,4-ジヒドロキシ-3,3-ジメチルブタンアミド]プロパンアミド}エチル)スルファニル]-6-[(1S)-1-ヒドロキシエチル]-7-オキソ-1-アザビシクロ[3.2.0]ヘプタン-2-カルボン酸
  • (2S,3S,5R,6R)-3-[(2-{3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanamido}ethyl)sulfanyl]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Other name (4)：
  • 抗生物質OA-6129D
  • Antibiotic OA-6129D
  • OA-6129D
  • (2S,5β)-3β-[[2-[[3-[[(R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl]thio]-6α-[(S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid
CAS registry number： 85414-25-1
KEGG COMPOUND： C17375
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