2'-guanidyl-2'-deaminogentamicin C1

2-[(2R,3R,6S)-2-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[1-(methylamino)ethyl]oxan-3-yl]guanidine

Also Known As: 2'-Guanidyl-2'-deaminogentamicin C1|S 86451|S-86451|2-[(2R,3R,6S)-2-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-[1-(methylamino)ethyl]oxan-3-yl]guanidine|D-Streptamine, O-2-((aminoiminomethyl)amino)-2,3,4,6,7-pentadeoxy-6-(methylamino)-alpha-D-ribo-heptopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-2-deoxy-|(1R,2S,3S,4R,6S)-4,6-Diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl (6xi)-2-(carbamimidoylamino)-2,3,4,6,7-pentadeoxy-6-(methylamino)-alpha-D-erythro-heptopyranoside|4,6-Diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)pentopyranosyl]oxy}-2-hydroxycyclohexyl 2-carbamimidamido-2,3,4,6,7-pentadeoxy-6-(methylamino)heptopyranoside

Molecular Formula	C22H45N7O7
Molecular Weight	519.3381 g/mol
LogP	-4.7
Topological Polar Surface Area	238.0 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	12
Rotatable Bonds	8
Exact Mass	519.3381
Monoisotopic Mass	519.3381
Heavy Atoms	36
Complexity	748.0

Chemical Identifiers

CAS Number	82089-23-4
SMILES	CC([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)OC3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N=C(N)N)NC
InChIKey	GEKHQVFXSOIXGF-QXRPEJGYSA-N