PSMA-11

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 6
Total Number of Articles : 10
PubChem 60143283
Molecular Formula

C44H62N6O17

SMILES

C1=CC(=C(C=C1CCC(=O)NCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)CN(CCN(CC2=C(C=CC(=C2)CCC(=O)O)O)CC(=O)O)CC(=O)O)O

InChI

InChI=1S/C44H62N6O17/c51-34-13-8-28(22-30(34)24-49(26-40(59)60)20-21-50(27-41(61)62)25-31-23-29(9-14-35(31)52)11-16-38(55)56)10-15-37(54)46-18-4-1-2-7-36(53)45-19-5-3-6-32(42(63)64)47-44(67)48-33(43(65)66)12-17-39(57)58/h8-9,13-14,22-23,32-33,51-52H,1-7,10-12,15-21,24-27H2,(H,45,53)(H,46,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H2,47,48,67)/t32-,33-/m0/s1

synonyms
  • PSMA-11
  • 1366302-52-4
  • Psma-hbed-CC
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Properties
Property Value
MW 947.0 g/mol
HBD 12
HBA 19
Rotatable Bond Count 35
Exact Mass 946.41714453 g/mol
Monoisotopic Mass 946.41714453 g/mol
Heavy Atom Count 67
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 1620
xlogp -3.9
Topological Polar Surface Area 370