amphotericin B, N-(N'-(3-dimethylaminopropyl)-N''-ethylguanyl)-

(1R,3S,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[[N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidoyl]amino]-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-carboxylic acid

Also Known As: DAPEG|Guanido-amphotericin B|N-(N'-(3-Dimethylaminopropyl)-N''-ethylguanyl)amphotericin B|Amphotericin B, N-(N'-(3-dimethylaminopropyl)-N''-ethylguanyl)-|(1R,3S,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[[N'-[3-(Dimethylamino)propyl]-N-ethylcarbamimidoyl]amino]-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-carboxylic acid|Amphotericin B, N-(((3-(dimethylamino)propyl)amino)(ethylamino)methylene)-|(1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-[[N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidoyl]amino]-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-carboxylic acid

Molecular Formula	C55H90N4O17
Molecular Weight	1078.6301 g/mol
LogP	1.2598
Topological Polar Surface Area	333.25 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	18
Rotatable Bonds	9
Exact Mass	1078.6301
Monoisotopic Mass	1078.6301
Heavy Atoms	76
Complexity	1963.1708

Chemical Identifiers

CAS Number	87263-93-2
SMILES	CCNC(=NCCCN(C)C)N[C@H]1[C@@H]([C@H](O[C@H]([C@H]1O)O[C@@H]\2C[C@H]3[C@@H]([C@H](C[C@](O3)(C[C@H](CC(C(CCC(C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]([C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C2)C)O)C)C)O)O)O)O)O)O)O)C(=O)O)C)O