Chem
J-GLOBAL ID：200907040426261768   Nikkaji number：J575.851C

Romidepsin

ロミデプシン
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： C24H36N4O6S2
Molecular formula furigana： C24-H36-N4-O6-S2
Molecular weight： 540.690
InChI： InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20?/m1/s1
InChI key： OHRURASPPZQGQM-WDCUYUQDSA-N
SMILES： C/C=C/1\NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)C(NC1=O)C(C)C
Systematic name  (3)：
  • シクロ[D-Val-D-Cys(1)-[(Z)-3-メチルDha-]-L-Val-[(3S)-3-[(E)-4-メルカプト(1)-1-ブテニル]-2-デアミノSer*-]]
  • (1S,4S,7Z,10S,16E,21R)-7-エチリデン-4,21-ビス(プロパン-2-イル)-2-オキサ-12,13-ジチア-5,8,20,23-テトラアザビシクロ[8.7.6]トリコサ-16-エン-3,6,9,19,22-ペンタオン
  • (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-bis(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone
Other name (12)：
  • FR-901228
  • Cyclo[D-Val-D-Cys(1)-[(Z)-3-methyl Dha-]-L-Val-[(3S)-3-[(E)-4-mercapto(1)-1-butenyl]-2-deamino Ser*-]]
  • 抗生物質FR-901228
  • Antibiotic FR-901228
  • FK-228
Show all
CAS registry number： 128517-07-7
KEGG DRUG： D06637
Application (1)：
antitumor drug
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