Bleomycin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1862
Total Number of Articles : 2839
PubChem 155903698
Molecular Formula

C55H84N17O21S3+

SMILES

CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@@H](C)[C@@H]([C@@H](C)C(=O)N[C@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O

InChI

InChI=1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23-,24-,25+,29-,30-,34-,35+,36-,37+,38-,39-,40+,41+,42+,43-,53-,54-/m1/s1

synonyms
  • bleomycin
  • PD132968
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Properties
Property Value
MW 1415.6 g/mol
HBD 20
HBA 31
Rotatable Bond Count 36
Exact Mass 1414.51898128 g/mol
Monoisotopic Mass 1414.51898128 g/mol
Heavy Atom Count 96
Isotope Atom Count 0
Atom Stereo Count 19
Covalent Unit Count 1
Complexity 2580
xlogp -7.5
Topological Polar Surface Area 685