Chem
J-GLOBAL ID:200907016481867383   Nikkaji number:J1.100.412A

(1S,8R,15S,22R)-4,18-Didemethyl-15,32-seco-1-de(methyldithiomethyl)-8,22-dide(2-methylpropyl)-8,22-bis(1-methylethyl)-1,15-bis(1-methylpropyl)ulithiacyclamide

シクロ[Ile(Oxn)-D-Val(Thz)]2
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: C34H48N8O6S2
Molecular formula furigana: C34-H48-N8-O6-S2
Molecular weight: 728.930
InChI: InChI=1S/C34H48N8O6S2/c1-9-17(7)25-31-35-19(11-47-31)27(43)39-24(16(5)6)34-38-22(14-50-34)30(46)42-26(18(8)10-2)32-36-20(12-48-32)28(44)40-23(15(3)4)33-37-21(13-49-33)29(45)41-25/h13-20,23-26H,9-12H2,1-8H3,(H,39,43)(H,40,44)(H,41,45)(H,42,46)/t17?,18?,19-,20-,23+,24+,25-,26-/m0/s1
InChI key: PKBJIZHGOIDUES-RUBQLNKZSA-N
SMILES: CCC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](NC(=O)[C@@H]2COC(=N2)[C@@H](NC(=O)c2csc(n2)[C@H](NC(=O)[C@@H]2COC1=N2)C(C)C)C(C)CC)C(C)C
Systematic name  (3):
  • (1S,8R,15S,22R)-4,18-ジデメチル-15,32-セコ-1-デ(メチルジチオメチル)-8,22-ジデ(2-メチルプロピル)-8,22-ビス(1-メチルエチル)-1,15-ビス(1-メチルプロピル)ウリチアシクラミド
  • (4S,8S,11R,18S,22S,25R)-4,18-ビス(ブタン-2-イル)-11,25-ビス(プロパン-2-イル)-6,20-ジオキサ-13,27-ジチア-3,10,17,24,29,30,31,32-オクタアザペンタシクロ[24.2.1.15,8.112,15.119,22]ドトリアコンタ-1(28),5(32),12(31),14,19(30),26(29)-ヘキサエン-2,9,16,23-テトラオン
  • (4S,8S,11R,18S,22S,25R)-4,18-bis(butan-2-yl)-11,25-bis(propan-2-yl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone
Other name (2):
  • (1S,8R,15S,22R)-4,18-Didemethyl-15,32-seco-1-de(methyldithiomethyl)-8,22-dide(2-methylpropyl)-8,22-bis(1-methylethyl)-1,15-bis(1-methylpropyl)ulithiacyclamide
  • シクロ[Ile(Oxn)-D-Val(Thz)]2
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