Chem
J-GLOBAL ID：201007025787008139   Nikkaji number：J2.862.607J

(2R,3R,4S)-3-Acetylamino-4-guanidino-2-[(1S,2R)-3-hydroxy-1-methoxy-2-(octanoyloxy)propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

(2R,3R,4S)-3-アセチルアミノ-4-グアニジノ-2-[(1S,2R)-3-ヒドロキシ-1-メトキシ-2-(オクタノイルオキシ)プロピル]-3,4-ジヒドロ-2H-ピラン-6-カルボン酸
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： C21H36N4O8
Molecular formula furigana： C21-H36-N4-O8
Molecular weight： 472.539
InChI： InChI=1S/C21H36N4O8/c1-4-5-6-7-8-9-16(28)32-15(11-26)18(31-3)19-17(24-12(2)27)13(25-21(22)23)10-14(33-19)20(29)30/h10,13,15,17-19,26H,4-9,11H2,1-3H3,(H,24,27)(H,29,30)(H4,22,23,25)/t13-,15+,17+,18+,19+/m0/s1
InChI key： UDNRCIQIAGYCRW-RSACRBQFSA-N
SMILES： CCCCCCCC(=O)O[C@H](CO)[C@@H](OC)[C@@H]1OC(=C[C@H](NC(=N)N)[C@H]1NC(=O)C)C(=O)O
Systematic name  (3)：
  • (2R,3R,4S)-3-アセチルアミノ-4-グアニジノ-2-[(1S,2R)-3-ヒドロキシ-1-メトキシ-2-(オクタノイルオキシ)プロピル]-3,4-ジヒドロ-2H-ピラン-6-カルボン酸
  • (2R,3R,4S)-4-カルバムイミドアミド-3-アセトアミド-2-[(1S,2R)-3-ヒドロキシ-1-メトキシ-2-(オクタノイルオキシ)プロピル]-3,4-ジヒドロ-2H-ピラン-6-カルボン酸
  • (2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[(1S,2R)-3-hydroxy-1-methoxy-2-(octanoyloxy)propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
Other name (1)：
  • (2R,3R,4S)-3-Acetylamino-4-guanidino-2-[(1S,2R)-3-hydroxy-1-methoxy-2-(octanoyloxy)propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
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