tryptoquivaline

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 12
Total Number of Articles : 18
PubChem 108075
Molecular Formula

C29H30N4O7

SMILES

CC(C)[C@@H](C1=NC2=CC=CC=C2C(=O)N1[C@@H]3C[C@]4([C@H]5N(C6=CC=CC=C64)C(=O)C(N5O)(C)C)OC3=O)OC(=O)C

InChI

InChI=1S/C29H30N4O7/c1-15(2)22(39-16(3)34)23-30-19-12-8-6-10-17(19)24(35)31(23)21-14-29(40-25(21)36)18-11-7-9-13-20(18)32-26(29)33(38)28(4,5)27(32)37/h6-13,15,21-22,26,38H,14H2,1-5H3/t21-,22+,26+,29+/m1/s1

synonyms
  • Tryptoquivaline
  • 55387-45-6
  • CW5S8OP3VO
Click to show/hide the synonyms
Properties
Property Value
MW 546.6 g/mol
HBD 1
HBA 9
Rotatable Bond Count 5
Exact Mass 546.21144931 g/mol
Monoisotopic Mass 546.21144931 g/mol
Heavy Atom Count 40
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 1150
xlogp 2.8
Topological Polar Surface Area 129