Ornithylamphotericin methyl ester

methyl (19E,21E,23E,25E,27E,29E,31E)-33-[4-(2,5-diaminopentanoylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate

Also Known As: ornithylamphotericin methyl ester|Sch 28191|Sch-28191|N-D-Ornithylamphotericin B methyl ester|Amphotericin B, N-D-ornithyl-, methyl ester|Amphotericin B, N-(2,5-diamino-1-oxopentyl)-, methyl ester, (3'(R))-|methyl (19E,21E,23E,25E,27E,29E,31E)-33-[4-(2,5-diaminopentanoylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate|methyl (4E,6E,8E,10E,12E,14E,16E)-3-[4-(2,5-diaminopentanoylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylate

Molecular Formula	C53H85N3O18
Molecular Weight	1051.5828 g/mol
LogP	0.0238
Topological Polar Surface Area	363.73 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	20
Rotatable Bonds	8
Exact Mass	1051.5828
Monoisotopic Mass	1051.5828
Heavy Atoms	74
Complexity	1912.8114

Chemical Identifiers

CAS Number	76023-49-9
SMILES	CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)OC)OC3C(C(C(C(O3)C)O)NC(=O)C(CCCN)N)O