Chem
J-GLOBAL ID：200907035487682835   Nikkaji number：J152.103I

Phallacidin

ファラシジン
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： C37H50N8O13S
Molecular formula furigana： C37-H50-N8-O13-S
Molecular weight： 846.910
InChI： InChI=1S/C37H50N8O13S/c1-15(2)25-32(53)44-26(27(48)36(56)57)33(54)41-23-13-59-34-19(18-7-5-6-8-20(18)42-34)10-21(29(50)40-22(30(51)43-25)11-37(4,58)14-46)39-28(49)16(3)38-31(52)24-9-17(47)12-45(24)35(23)55/h5-8,15-17,21-27,42,46-48,58H,9-14H2,1-4H3,(H,38,52)(H,39,49)(H,40,50)(H,41,54)(H,43,51)(H,44,53)(H,56,57)/t16-,17-,21-,22-,23-,24-,25-,26+,27-,37?/m0/s1
InChI key： KUBDTFZQCYLLGC-AASPPYRUSA-N
SMILES： CC(C)[C@@H]1NC(=O)[C@H](CC(C)(O)CO)NC(=O)[C@@H]2Cc3c(SC[C@H](NC(=O)[C@H](NC1=O)[C@H](O)C(=O)O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](C)C(=O)N2)[nH]c1ccccc31
Systematic name  (3)：
  • シクロ[L-Ala-L-Trp2(1)-4,5-ジヒドロキシ-L-Leu-L-Val-[(3S)-3-ヒドロキシ-D-Asp-]-L-Cys(1)-L-c4Hyp-]
  • (2S)-2-[(1S,14R,18S,20S,23S,28S,31S,34R)-28-(2,3-ジヒドロキシ-2-メチルプロピル)-18-ヒドロキシ-23-メチル-15,21,24,26,29,32,35-ヘプタオキソ-31-(プロパン-2-イル)-12-チア-10,16,22,25,27,30,33,36-オクタアザペンタシクロ[12.11.11.03,11.04,9.016,20]ヘキサトリアコンタ-3(11),4,6,8-テトラエン-34-イル]-2-ヒドロキシ酢酸
  • (2S)-2-[(1S,14R,18S,20S,23S,28S,31S,34R)-28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-23-methyl-15,21,24,26,29,32,35-heptaoxo-31-(propan-2-yl)-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraen-34-yl]-2-hydroxyacetic acid
Other name (3)：
  • Phallacidin
  • ファラシジン
  • Cyclo[L-Ala-L-Trp2(1)-4,5-dihydroxy-L-Leu-L-Val-[(3S)-3-hydroxy-D-Asp-]-L-Cys(1)-L-c4Hyp-]
CAS registry number： 26645-35-2
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