plitidepsin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 63
Total Number of Articles : 24
PubChem 9812534
Molecular Formula

C57H87N7O15

SMILES

CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)C(=O)C)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O

InChI

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

synonyms
  • plitidepsin
  • Aplidine
  • aplidin
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Properties
Property Value
MW 1110.3 g/mol
HBD 4
HBA 15
Rotatable Bond Count 15
Exact Mass 1109.62601509 g/mol
Monoisotopic Mass 1109.62601509 g/mol
Heavy Atom Count 79
Isotope Atom Count 0
Atom Stereo Count 12
Covalent Unit Count 1
Complexity 2200
xlogp 5.7
Topological Polar Surface Area 285