epoxomicin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 91
Total Number of Articles : 67
PubChem 11226684
Molecular Formula

C28H50N4O7

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)[C@]1(CO1)C)NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)C

InChI

InChI=1S/C28H50N4O7/c1-11-16(5)21(30-27(38)23(17(6)12-2)32(10)19(8)34)25(36)31-22(18(7)33)26(37)29-20(13-15(3)4)24(35)28(9)14-39-28/h15-18,20-23,33H,11-14H2,1-10H3,(H,29,37)(H,30,38)(H,31,36)/t16-,17-,18+,20-,21-,22-,23-,28+/m0/s1

synonyms
  • epoxomicin
  • 134381-21-8
  • BU-4061T
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Properties
Property Value
MW 554.7 g/mol
HBD 4
HBA 7
Rotatable Bond Count 16
Exact Mass 554.36794995 g/mol
Monoisotopic Mass 554.36794995 g/mol
Heavy Atom Count 39
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 895
xlogp 2.3
Topological Polar Surface Area 157