Chem
J-GLOBAL ID：200907098170608232   Nikkaji number：J825.416H

Patellamide A

パテラミド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： C35H50N8O6S2
Molecular formula furigana： C35-H50-N8-O6-S2
Molecular weight： 742.960
InChI： InChI=1S/C35H50N8O6S2/c1-10-17(7)25-32-36-20(12-48-32)28(44)39-23(15(3)4)34-37-22(14-50-34)30(46)42-26(18(8)11-2)33-43-27(19(9)49-33)31(47)40-24(16(5)6)35-38-21(13-51-35)29(45)41-25/h13-20,23-27H,10-12H2,1-9H3,(H,39,44)(H,40,47)(H,41,45)(H,42,46)/t17-,18-,19+,20-,23+,24+,25-,26-,27-/m0/s1
InChI key： ZGJIVWQOEHQWLW-SWTUTNCKSA-N
SMILES： CC[C@H](C)[C@@H]1NC(=O)c2csc(n2)[C@H](NC(=O)[C@H]2N=C(O[C@@H]2C)[C@@H](NC(=O)c2csc(n2)[C@H](NC(=O)[C@@H]2COC1=N2)C(C)C)[C@@H](C)CC)C(C)C
Systematic name  (3)：
  • (1S,8R,15S,22R)-30,31-セコ-1,15-ジデ(メルカプトメチル)-4-デメチル-8,22-ジデ(2-メチルプロピル)-8,22-ジイソプロピル-1,15-ビス[(S)-1-メチルプロピル]ウリチアシクラミド
  • (4S,7R,8S,11R,18S,22S,25R)-4,18-ビス[(2S)-ブタン-2-イル]-7-メチル-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,7R,8S,11R,18S,22S,25R)-4,18-bis[(2S)-butan-2-yl]-7-methyl-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 (3)：
  • パテラミドA
  • Patellamide A
  • (1S,8R,15S,22R)-30,31-Seco-1,15-dide(mercaptomethyl)-4-demethyl-8,22-dide(2-methylpropyl)-8,22-diisopropyl-1,15-bis[(S)-1-methylpropyl]ulithiacyclamide
CAS registry number： 81120-73-2
KEGG COMPOUND： C15734
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