Chem
J-GLOBAL ID：200907068468397521   Nikkaji number：J1.971.507H

Halipeptin B

ハリペプチンB
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： C30H52N4O7S
Molecular formula furigana： C30-H52-N4-O7-S
Molecular weight： 612.830
InChI： InChI=1S/C30H52N4O7S/c1-10-11-21(36)13-12-18(3)23-29(6,7)27(39)32-19(4)25-33-30(8,16-42-25)28(40)34(9)22(17(2)14-15-35)24(37)31-20(5)26(38)41-23/h17-23,35-36H,10-16H2,1-9H3,(H,31,37)(H,32,39)/t17-,18+,19-,20-,21-,22?,23-,30-/m0/s1
InChI key： GAJPPJIIJWAAGB-FBDIRSFJSA-N
SMILES： CCC[C@H](O)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
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-ヒドロキシヘプチル]-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-ヒドロキシオクタン-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-hydroxyoctan-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-hydroxyheptyl]-1,4,7,10-tetraaza-13-oxacyclohexadecane-3-ene-6,9,12,16-tetrone
  • ハリペプチンB
  • Halipeptin B
CAS registry number： 330197-79-0
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