N-MCG

methyl (1S,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R)-33-[(2R,3S,4S,5S,6R)-4-[[N-cyclohexyl-N'-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]carbamimidoyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,4,7,9,11,17,37-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: N-MCG|N-(N'-(2-(4'-Methylmorpholinio)ethyl)-N''-cyclohexylguanyl)amphotericin B methyl ester|Methyl (1S,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R)-33-[(2R,3S,4S,5S,6R)-4-[[N-cyclohexyl-N'-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]carbamimidoyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,4,7,9,11,17,37-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 (3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,35S)-3-[(2R,3S,4S,5S,6R)-4-[[N-cyclohexyl-N'-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]carbamimidoyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,29,32,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylate|N,(N'-(2-(4'-Methylmorpholinio)ethyl)N''-cyclohexylguanyl)amphotericin B methyl ester|Amphotericin B, N-((cyclohexylamino)((2-(4-methylmorpholinium-4-yl)ethyl)amino)methylene)-, methyl ester|Amphotericin B, N-[(cyclohexylamino)[[2-(4-methylmorpholinium-4-yl)ethyl]amino]methylene]-, methyl ester|MCG|methyl (3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,35S)-3-[(2R,3S,4S,5S,6R)-4-[(E)-[(cyclohexylamino)-[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]methylene]amino]-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,29,32,33,35,37-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	C62H101N4O18+
Molecular Weight	1189.711 g/mol
LogP	2.1861
Topological Polar Surface Area	328.24 Ų
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	19
Rotatable Bonds	8
Exact Mass	1189.711
Monoisotopic Mass	1189.711
Heavy Atoms	84
Complexity	2214.7341

Chemical Identifiers

CAS Number	79451-27-7
SMILES	C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](CC2C(C(C[C@](O2)(CC(C(CCC(CC(CC(CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)OC)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)NC(=NCC[N+]4(CCOCC4)C)NC5CCCCC5)O