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Substance Name: Plitidepsin [INN:BAN]
RN: 137219-37-5
UNII: Y76ID234HW
InChIKey: UUSZLLQJYRSZIS-LXNNNBEUSA-N

Note

  • A cyclodepsipeptide isolated from Aplidium albicans; has a pyruvoyl-proline residue instead of the lactyl-proline residue found in the linear peptide moiety of didemnin B.

Molecular Formula

  • C57-H87-N7-O15

Molecular Weight

  • 1110.3483
 
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Names and Synonyms

Name of Substance

  • Plitidepsin [INN:BAN]

Synonyms

  • 2-9-Didemnin B, 2-(1-(1,2-dioxopropyl)-L-proline)-
  • Aplidin
  • Aplidine
  • Dehydrodidemnin B
  • Didemnin A, N-(1-(1,2-dioxopropyl)-L-prolyl)-
  • Plitidepsin
  • UNII-Y76ID234HW

Systematic Name

  • L-Tyrosine, 1-(1,2-dioxopropyl)-L-prolyl-N-methyl-D-leucyl-L-threonyl-(3S,4R,5S)-4-amino-3-hydroxy-5-methylheptanoyl-(2S,4S)-4-hydroxy-2,5-dimethyl-3-oxohexanoyl-L-leucyl-L-prolyl-N,O-dimethyl-, (8-3)-lactone

Registry Numbers

CAS Registry Number

  • 137219-37-5

FDA UNII

  • Y76ID234HW

System Generated Number

  • 0137219375

Structure Descriptors

InChI

1S/C57H87N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-34,36,39-44,46-47,49,66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1

InChIKey

UUSZLLQJYRSZIS-LXNNNBEUSA-N

Smiles

CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)C(=O)C)[C@@H](C)OC(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C