Chem
J-GLOBAL ID：200907064388793056   Nikkaji number：J2.417.247C

Malyngamide X

マリンガミドX
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： C33H57N3O7
Molecular formula furigana： C33-H57-N3-O7
Molecular weight： 607.833
InChI： InChI=1S/C33H57N3O7/c1-10-11-12-13-15-18-26(42-8)19-16-14-17-20-28(37)35(7)25(6)32(40)34-24(5)31(39)23(4)33(41)36-29(38)21-27(43-9)30(36)22(2)3/h14,16,21-26,30-31,39H,10-13,15,17-20H2,1-9H3,(H,34,40)/b16-14+/t23-,24+,25+,26-,30+,31+/m1/s1
InChI key： AJAKPDOKEWIGCY-HDUDZJMESA-N
SMILES： CCCCCCC[C@H](C/C=C/CCC(=O)N(C)[C@@H](C)C(=O)N[C@@H](C)[C@@H](O)[C@@H](C)C(=O)N1[C@@H](C(C)C)C(=CC1=O)OC)OC
Systematic name  (3)：
  • (4E,7R)-N-[(1S)-1-[[(1S,2S,3R)-1,3-ジメチル-2-ヒドロキシ-4-オキソ-4-[(5S)-2-オキソ-4-メトキシ-5-イソプロピル-2,5-ジヒドロ-1H-ピロール-1-イル]ブチル]カルバモイル]エチル]-N-メチル-7-メトキシ-4-テトラデセンアミド
  • (4E,7R)-N-[(1S)-1-{[(2S,3S,4R)-3-ヒドロキシ-5-[(2S)-3-メトキシ-5-オキソ-2-(プロパン-2-イル)-2,5-ジヒドロ-1H-ピロール-1-イル]-4-メチル-5-オキソペンタン-2-イル]カルバモイル}エチル]-7-メトキシ-N-メチルテトラデカ-4-エンアミド
  • (4E,7R)-N-[(1S)-1-{[(2S,3S,4R)-3-hydroxy-5-[(2S)-3-methoxy-5-oxo-2-(propan-2-yl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-5-oxopentan-2-yl]carbamoyl}ethyl]-7-methoxy-N-methyltetradec-4-enamide
Other name (3)：
  • (4E,7R)-N-[(1S)-1-[[(1S,2S,3R)-1,3-Dimethyl-2-hydroxy-4-oxo-4-[(5S)-2-oxo-4-methoxy-5-isopropyl-2,5-dihydro-1H-pyrrole-1-yl]butyl]carbamoyl]ethyl]-N-methyl-7-methoxy-4-tetradeceneamide
  • マリンガミドX
  • Malyngamide X
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