valspodar

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 35
Total Number of Articles : 103
PubChem 5281884
Molecular Formula

C63H111N11O12

SMILES

C/C=C/C[C@@H](C)C(=O)[C@H]1C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C(C)C

InChI

InChI=1S/C63H111N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-52H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52+/m1/s1

synonyms
  • Valspodar
  • 121584-18-7
  • Amdray
Click to show/hide the synonyms
Properties
Property Value
MW 1214.6 g/mol
HBD 4
HBA 12
Rotatable Bond Count 15
Exact Mass 1213.84136802 g/mol
Monoisotopic Mass 1213.84136802 g/mol
Heavy Atom Count 86
Isotope Atom Count 0
Atom Stereo Count 11
Covalent Unit Count 1
Complexity 2410
xlogp 7.7
Topological Polar Surface Area 276