chaetocin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 94
Total Number of Articles : 53
PubChem 146158463
Molecular Formula

C30H28N6O6S4

SMILES

CN1C(=O)[C@@]23C[C@]4(C(N2C(=O)[C@@]1(SS3)CO)NC5=CC=CC=C54)[C@]67C[C@]89C(=O)N([C@](C(=O)N8C6NC1=CC=CC=C71)(SS9)CO)C

InChI

InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19?,20?,25-,26-,27-,28-,29-,30-/m0/s1

synonyms
  • Chaetocin
  • Chetocin
  • 28097-03-2
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Properties
Property Value
MW 696.8 g/mol
HBD 4
HBA 12
Rotatable Bond Count 3
Exact Mass 696.09531733 g/mol
Monoisotopic Mass 696.09531733 g/mol
Heavy Atom Count 46
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 1400
xlogp 2
Topological Polar Surface Area 247