Chem
J-GLOBAL ID:201207058759232791   Nikkaji number:J3.010.736E

(2S)-1-Methyl-2-(hydroxymethyl)-3-hydroxy-3α-[(1S,3R,4R)-1-methoxy-3-methyl-4-hydroxy-9-[[(3R)-1-oxo-2,2,4-trimethyl-3-hydroxy-10-(5-oxazolyl)-4,6,8-decatriene-1-yl]amino]-5,7-nonadienyl]-4β-methyl-5-oxopyrrolidine-2α-carboxylic acid

(2S,3S,4R)-3-ヒドロキシ-3-[(1S,3R,4R)-4-ヒドロキシ-9-[(3R)-3-ヒドロキシ-2,2,4-トリメチル-10-(1,3-オキサゾール-5-イル)デカ-4,6,8-トリエンアミド]-1-メトキシ-3-メチルノナ-5,7-ジエン-1-イル]-2-(ヒドロキシメチル)-1,4-ジメチル-5-オキソピロリジン-2-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: C35H51N3O10
Molecular formula furigana: C35-H51-N3-O10
Molecular weight: 673.804
InChI: InChI=1S/C35H51N3O10/c1-23(15-11-8-9-12-16-26-20-36-22-48-26)29(41)33(4,5)31(43)37-18-14-10-13-17-27(40)24(2)19-28(47-7)35(46)25(3)30(42)38(6)34(35,21-39)32(44)45/h8-15,17,20,22,24-25,27-29,39-41,46H,16,18-19,21H2,1-7H3,(H,37,43)(H,44,45)/t24-,25+,27+,28+,29-,34-,35-/m1/s1
InChI key: JRRBOEASUSITIK-FCLWUBLVSA-N
SMILES: CO[C@@H](C[C@@H](C)[C@@H](O)C=CC=CCNC(=O)C(C)(C)[C@H](O)C(=CC=CC=CCc1cnco1)C)[C@]1(O)[C@@H](C)C(=O)N(C)[C@]1(CO)C(=O)O
Systematic name  (3):
  • (2S)-1-メチル-2-(ヒドロキシメチル)-3-ヒドロキシ-3α-[(1S,3R,4R)-1-メトキシ-3-メチル-4-ヒドロキシ-9-[[(3R)-1-オキソ-2,2,4-トリメチル-3-ヒドロキシ-10-(5-オキサゾリル)-4,6,8-デカトリエン-1-イル]アミノ]-5,7-ノナジエニル]-4β-メチル-5-オキソピロリジン-2α-カルボン酸
  • (2S,3S,4R)-3-ヒドロキシ-3-[(1S,3R,4R)-4-ヒドロキシ-9-[(3R)-3-ヒドロキシ-2,2,4-トリメチル-10-(1,3-オキサゾール-5-イル)デカ-4,6,8-トリエンアミド]-1-メトキシ-3-メチルノナ-5,7-ジエン-1-イル]-2-(ヒドロキシメチル)-1,4-ジメチル-5-オキソピロリジン-2-カルボン酸
  • (2S,3S,4R)-3-hydroxy-3-[(1S,3R,4R)-4-hydroxy-9-[(3R)-3-hydroxy-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienamido]-1-methoxy-3-methylnona-5,7-dien-1-yl]-2-(hydroxymethyl)-1,4-dimethyl-5-oxopyrrolidine-2-carboxylic acid
Other name (1):
  • (2S)-1-Methyl-2-(hydroxymethyl)-3-hydroxy-3α-[(1S,3R,4R)-1-methoxy-3-methyl-4-hydroxy-9-[[(3R)-1-oxo-2,2,4-trimethyl-3-hydroxy-10-(5-oxazolyl)-4,6,8-decatriene-1-yl]amino]-5,7-nonadienyl]-4β-methyl-5-oxopyrrolidine-2α-carboxylic acid
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