| Stereochemistry | ABSOLUTE |
| Molecular Formula | C75H124N14O16.C2HF3O2 |
| Molecular Weight | 1591.8946 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 17 / 17 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C(F)(F)F.[H][C@](NC(=O)[C@H](NC(=O)CC[C@@H](C)CC)C(C)C)([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@]1([H])C(=O)N[C@@H](CCCN)C(=O)N[C@]([H])([C@@H](C)CC)C(=O)N[C@@H]2[C@@H](C)OC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](NC(=O)[C@]([H])(NC2=O)[C@@H](C)CC)C(C)C)=C\C)C(C)C
InChI
InChIKey=FUDHRLIJYPGBOX-MWGCIELCSA-N
InChI=1S/C75H124N14O16.C2HF3O2/c1-20-43(15)33-34-53(91)80-54(38(5)6)68(97)87-61(46(18)90)72(101)82-56(40(9)10)69(98)83-57(41(11)12)74(103)89-36-28-32-52(89)66(95)78-50(31-27-35-76)64(93)85-59(44(16)21-2)71(100)88-62-47(19)105-75(104)58(42(13)14)84-63(92)49(23-4)77-65(94)51(37-48-29-25-24-26-30-48)79-67(96)55(39(7)8)81-70(99)60(45(17)22-3)86-73(62)102;3-2(4,5)1(6)7/h23-26,29-30,38-47,50-52,54-62,90H,20-22,27-28,31-37,76H2,1-19H3,(H,77,94)(H,78,95)(H,79,96)(H,80,91)(H,81,99)(H,82,101)(H,83,98)(H,84,92)(H,85,93)(H,86,102)(H,87,97)(H,88,100);(H,6,7)/b49-23-;/t43-,44-,45-,46+,47+,50-,51-,52+,54+,55+,56-,57+,58-,59+,60+,61-,62+;/m0./s1
| Molecular Formula | C75H124N14O16 |
| Molecular Weight | 1477.8713 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 17 / 17 |
| E/Z Centers | 6 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C2HF3O2 |
| Molecular Weight | 114.0233 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Elisidepsin (Irvalec®, PM02734) is a depsipeptide produced by chemical synthesis and chosen for development as an antineoplastic agent based on its in vitro activity against human solid tumor cell lines, in vivo activity in hollow fibers and xenografted human tumors, as well as its acceptable preclinical toxicology profile. Elisidepsin causes a typical necrotic cell death and induces profound alterations in tumor cell morphology. Elisidepsin inserts into the plasma membrane causing rapid loss of integrity and necrotic cell death in tumor cells. PharmaMar was developing elisidepsin for the treatment of cancer. However, development of the compound has been suspended.
Originator
Approval Year
PubMed
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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