Chem
J-GLOBAL ID：200907099503195565   Nikkaji number：J1.221.732C

Mollamide

モラミド
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： C42H61N7O7S
Molecular formula furigana： C42-H61-N7-O7-S
Molecular weight： 808.050
InChI： InChI=1S/C42H61N7O7S/c1-8-25(4)33-38(53)44-29(23-56-42(6,7)10-3)35(50)43-28(22-27-16-12-11-13-17-27)40(54)49-21-15-19-32(49)39-45-30(24-57-39)36(51)47-34(26(5)9-2)41(55)48-20-14-18-31(48)37(52)46-33/h10-13,16-17,25-26,28-34H,3,8-9,14-15,18-24H2,1-2,4-7H3,(H,43,50)(H,44,53)(H,46,52)(H,47,51)/t25-,26-,28-,29-,30-,31-,32-,33-,34-/m0/s1
InChI key： WOJHPNQVQSSJML-RYWOMTJGSA-N
SMILES： CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H]2CSC(=N2)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](COC(C)(C)C=C)NC1=O)[C@@H](C)CC
Systematic name  (3)：
  • シクロ[L-Ile-O-(1,1-ジメチル-2-プロペニル)-L-Ser-[2-[(2S)-1-[(2S)-2-アミノ*-3-フェニルプロピオニル]-2-ピロリジニル]-2-チアゾリン-4α-イルカルボニル]-L-Ile-L-Pro-]
  • (2S,8S,11S,14S,17S,23S,26R)-8-ベンジル-14,23-ビス[(2S)-ブタン-2-イル]-11-{[(2-メチルブタ-3-エン-2-イル)オキシ]メチル}-28-チア-6,9,12,15,21,24,29-ヘプタアザテトラシクロ[24.2.1.02,6.017,21]ノナコサ-1(29)-エン-7,10,13,16,22,25-ヘキサオン
  • (2S,8S,11S,14S,17S,23S,26R)-8-benzyl-14,23-bis[(2S)-butan-2-yl]-11-{[(2-methylbut-3-en-2-yl)oxy]methyl}-28-thia-6,9,12,15,21,24,29-heptaazatetracyclo[24.2.1.02,6.017,21]nonacos-1(29)-ene-7,10,13,16,22,25-hexone
Other name (3)：
  • Cyclo[L-Ile-O-(1,1-dimethyl-2-propenyl)-L-Ser-[2-[(2S)-1-[(2S)-2-amino*-3-phenylpropionyl]-2-pyrrolidinyl]-2-thiazoline-4α-ylcarbonyl]-L-Ile-L-Pro-]
  • モラミド
  • Mollamide
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