yatakemycin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 2
PubChem 5312284
Molecular Formula

C35H29N5O8S

SMILES

COC1=C(C=C2C=C(NC2=C1)C(=O)N3C[C@@H]4C[C@]45C3=CC(=O)C6=C5C=C(N6)C(=O)N7CCC8=C9C=C(NC9=C(C(=C87)O)OC)C(=O)SC)O

InChI

InChI=1S/C35H29N5O8S/c1-47-25-10-19-14(7-23(25)41)6-20(36-19)33(45)40-13-15-12-35(15)18-9-21(37-28(18)24(42)11-26(35)40)32(44)39-5-4-16-17-8-22(34(46)49-3)38-27(17)31(48-2)30(43)29(16)39/h6-11,15,36-38,41,43H,4-5,12-13H2,1-3H3/t15-,35-/m0/s1

synonyms
  • ent-( )-yatakemycin
  • (-)-Yatakemycin
  • CHEMBL1241094
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Properties
Property Value
MW 679.7 g/mol
HBD 5
HBA 9
Rotatable Bond Count 6
Exact Mass 679.17368407 g/mol
Monoisotopic Mass 679.17368407 g/mol
Heavy Atom Count 49
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 1480
xlogp 4
Topological Polar Surface Area 206