Istamycin A

2-amino-N-[(1S,2R,3R,4S,6S)-4-amino-3-[(2R,3R,6S)-3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-6-methoxycyclohexyl]-N-methylacetamide

Also Known As: Sannamycin A|Istamycin A|Istamycin B|Antibiotic KA 7038I|Antibiotic KA-7038I|KA-7038-I|KA-7038I|2-amino-N-[(1S,2R,3R,4S,6S)-4-amino-3-[(2R,3R,6S)-3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-6-methoxycyclohexyl]-N-methylacetamide|L-chiro-Inositol, 4-amino-1-((aminoacetyl)methylamino)-3-O-(2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-alpha-D-erythro-hexopyranosyl)-1,4,5-trideoxy-6-O-methyl-|L-muco-Inositol, 4-amino-1-(2-amino-N-methylacetamido)-3-O-(2-amino-6-methylamino-2,3,4,6-tetradeoxy-beta-D-lyxo-hexopyranosyl)-6-O-methyl-1,4,5-trideoxy-|(1R,2R,3S,4S,6S)-6-Amino-3-[glycyl(methyl)amino]-2-hydroxy-4-methoxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-alpha-D-erythro-hexopyranoside|2-amino-N-((1S,2R,3R,4S,6S)-4-amino-3-((2R,3R,6S)-3-amino-6-(methylaminomethyl)oxan-2-yl)oxy-2-hydroxy-6-methoxycyclohexyl)-N-methylacetamide|2-amino-N-[(1S,2R,3R,4S,6S)-4-amino-3-{[(2R,3R,6S)-3-amino-6-[(methylamino)methyl]oxan-2-yl]oxy}-2-hydroxy-6-methoxycyclohexyl]-N-methylacetamide|4-Amino-1-[(aminoacetyl)methylamino]-3-O-[2-amino-6-methylamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl]-1,4,5-trideoxy-6-O-methyl-L-chiro-inositol|6-Amino-3-[glycyl(methyl)amino]-2-hydroxy-4-methoxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-(methylamino)hexopyranoside

Molecular Formula	C17H35N5O5
Molecular Weight	389.26382 g/mol
LogP	-3.4
Topological Polar Surface Area	158.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	389.26382
Monoisotopic Mass	389.26382
Heavy Atoms	27
Complexity	485.0

Chemical Identifiers

CAS Number	72503-79-8
SMILES	CNC[C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@@H]([C@H]([C@H]2O)N(C)C(=O)CN)OC)N)N
InChIKey	NEFDRWXEVITQMN-JWYRXTSNSA-N