Chem
J-GLOBAL ID：200907095885725504   Nikkaji number：J771.141G

[(2R,6S)-6-Amino-7-hydroxy-7-oxo-2-[[[2-[1-O-[(5′-uridyloxy)phosphonyl]-2-(acetylamino)-2-deoxy-β-D-glucopyranos-3-O-yl]propionyl]-L-Ala-D-γGlu-]amino]heptanoyl]-D-Ala-D-Lac-OH ester

[(2R,6S)-6-アミノ-7-ヒドロキシ-7-オキソ-2-[[[2-[1-O-[(5′-ウリジルオキシ)ホスホニル]-2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノース-3-O-イル]プロピオニル]-L-Ala-D-γGlu-]アミノ]ヘプタノイル]-D-Ala-D-Lac-OH
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： C41H63N8O26P
Molecular formula furigana： C41-H63-N8-O26-P
Molecular weight： 1114.959
InChI： InChI=1S/C41H63N8O26P/c1-15(32(57)47-22(38(64)65)9-10-25(52)46-21(8-6-7-20(42)37(62)63)34(59)44-16(2)39(66)72-18(4)36(60)61)43-33(58)17(3)71-31-27(45-19(5)51)40(74-23(13-50)29(31)55)75-76(68,69)70-14-24-28(54)30(56)35(73-24)49-12-11-26(53)48-41(49)67/h11-12,15-18,20-24,27-31,35,40,50,54-56H,6-10,13-14,42H2,1-5H3,(H,43,58)(H,44,59)(H,45,51)(H,46,52)(H,47,57)(H,60,61)(H,62,63)(H,64,65)(H,68,69)(H,48,53,67)/t15-,16+,17?,18+,20-,21+,22+,23+,24+,27+,28+,29+,30+,31+,35+,40-/m0/s1
InChI key： RONAXGKXVCPTTL-QVUGVTBWSA-N
SMILES： C[C@H](NC(=O)C(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OP(=O)(O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(=O)C)C(=O)N[C@H](CCC(=O)N[C@H](CCC[C@H](N)C(=O)O)C(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)O)C(=O)O
Systematic name  (3)：
  • [(2R,6S)-6-アミノ-7-ヒドロキシ-7-オキソ-2-[[[2-[1-O-[(5′-ウリジルオキシ)ホスホニル]-2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノース-3-O-イル]プロピオニル]-L-Ala-D-γGlu-]アミノ]ヘプタノイル]-D-Ala-D-Lac-OH
  • (2S,6R)-2-アミノ-6-[(4R)-4-カルボキシ-4-[(2S)-2-(2-{[(2S,3R,4R,5S,6R)-2-[({[(2R,3S,4R,5R)-5-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ]-3-アセトアミド-5-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]-6-{[(2R)-1-[(1R)-1-カルボキシエトキシ]-1-オキソプロパン-2-イル]カルバモイル}ヘキサン酸
  • (2S,6R)-2-amino-6-[(4R)-4-carboxy-4-[(2S)-2-(2-{[(2S,3R,4R,5S,6R)-2-[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido)propanamido]butanamido]-6-{[(2R)-1-[(1R)-1-carboxyethoxy]-1-oxopropan-2-yl]carbamoyl}hexanoic acid
Other name (1)：
  • [(2R,6S)-6-Amino-7-hydroxy-7-oxo-2-[[[2-[1-O-[(5′-uridyloxy)phosphonyl]-2-(acetylamino)-2-deoxy-β-D-glucopyranos-3-O-yl]propionyl]-L-Ala-D-γGlu-]amino]heptanoyl]-D-Ala-D-Lac-OH ester
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