Chem
J-GLOBAL ID：200907066076780480   Nikkaji number：J1.971.506J

Halipeptin A

ハリペプチン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： C31H54N4O7S
Molecular formula furigana： C31-H54-N4-O7-S
Molecular weight： 626.850
InChI： InChI=1S/C31H54N4O7S/c1-11-12-22(41-10)14-13-19(3)24-30(6,7)28(39)33-20(4)26-34-31(8,17-43-26)29(40)35(9)23(18(2)15-16-36)25(37)32-21(5)27(38)42-24/h18-24,36H,11-17H2,1-10H3,(H,32,37)(H,33,39)/t18-,19+,20-,21-,22-,23?,24-,31-/m0/s1
InChI key： YPKOTXFXOPMNCS-YCNVPRIPSA-N
SMILES： CCC[C@@H](CC[C@@H](C)[C@@H]1OC(=O)[C@H](C)NC(=O)C([C@@H](C)CCO)N(C)C(=O)[C@]2(C)CSC(=N2)[C@H](C)NC(=O)C1(C)C)OC
Systematic name  (3)：
  • (2S)-2β,5α,7,11β,15,15-ヘキサメチル-3,5-(チオメチレン)-8β-[(S)-1-メチル-3-ヒドロキシプロピル]-14β-[(1R,4S)-1-メチル-4-メトキシヘプチル]-1,4,7,10-テトラアザ-13-オキサシクロヘキサデカン-3-エン-6,9,12,16-テトラオン
  • (1R,4S,7S,10S,14S)-4-[(2S)-4-ヒドロキシブタン-2-イル]-10-[(2R,5S)-5-メトキシオクタン-2-イル]-1,3,7,11,11,14-ヘキサメチル-9-オキサ-16-チア-3,6,13,18-テトラアザビシクロ[13.2.1]オクタデカ-15(18)-エン-2,5,8,12-テトラオン
  • (1R,4S,7S,10S,14S)-4-[(2S)-4-hydroxybutan-2-yl]-10-[(2R,5S)-5-methoxyoctan-2-yl]-1,3,7,11,11,14-hexamethyl-9-oxa-16-thia-3,6,13,18-tetraazabicyclo[13.2.1]octadec-15(18)-ene-2,5,8,12-tetrone
Other name (3)：
  • (2S)-2β,5α,7,11β,15,15-Hexamethyl-3,5-(thiomethylene)-8β-[(S)-1-methyl-3-hydroxypropyl]-14β-[(1R,4S)-1-methyl-4-methoxyheptyl]-1,4,7,10-tetraaza-13-oxacyclohexadecane-3-ene-6,9,12,16-tetrone
  • ハリペプチンA
  • Halipeptin A
CAS registry number： 330197-78-9
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