Chem
J-GLOBAL ID:200907018398366499   Nikkaji number:J2.443.409E

Muracein A

ムラセイン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: C26H44N6O14
Molecular formula furigana: C26-H44-N6-O14
Molecular weight: 664.666
InChI: InChI=1S/C26H44N6O14/c1-10(29-23(39)11(2)45-20-18(30-12(3)34)26(44)46-16(9-33)19(20)36)22(38)32-15(25(42)43)7-8-17(35)31-14(24(40)41)6-4-5-13(27)21(28)37/h10-11,13-16,18-20,26,33,36,44H,4-9,27H2,1-3H3,(H2,28,37)(H,29,39)(H,30,34)(H,31,35)(H,32,38)(H,40,41)(H,42,43)/t10-,11+,13+,14+,15+,16+,18+,19+,20+,26?/m0/s1
InChI key: NZFXQRHFBLVEQA-SYRXZUCSSA-N
SMILES: C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(=O)C)C(=O)N[C@H](CCC(=O)N[C@H](CCC[C@@H](N)C(=O)N)C(=O)O)C(=O)O
Systematic name  (3):
  • (6R)-N6-[N-(N-アセチルムラモイル)-L-Ala-D-γGlu-]-6-カルボキシ-D-リシンアミド
  • (2R,6R)-6-アミノ-6-カルバモイル-2-[(4R)-4-カルボキシ-4-[(2S)-2-[(2R)-2-{[(3R,4R,5S,6R)-3-アセトアミド-2,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-4-イル]オキシ}プロパンアミド]プロパンアミド]ブタンアミド]ヘキサン酸
  • (2R,6R)-6-amino-6-carbamoyl-2-[(4R)-4-carboxy-4-[(2S)-2-[(2R)-2-{[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido]propanamido]butanamido]hexanoic acid
Other name (3):
  • (6R)-N6-[N-(N-Acetylmuramoyl)-L-Ala-D-γGlu-]-6-carboxy-D-lysinamide
  • ムラセインA
  • Muracein A
CAS registry number: 90965-60-9
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