1-N-((S)-4-amino-2-hydroxybutyryl)-2''-deoxykanamycin B

bis(4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-[4-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide);carbonic acid

Also Known As: Ahbd-kanamycin B|1-N-((S)-4-Amino-2-hydroxybutyryl)-2''-deoxykanamycin B|4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-[4-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide;carbonic acid|D-Streptamine, O-3-amino-2,3-dideoxy-alpha-D-arabino-hexopyranosyl-(1-6)-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4))-N1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-, carbonate (2:1) (salt)|4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-[4-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide,carbonic acid|4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-[4-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide; carbonic acid|4-Amino-N-{5-amino-2-[(3-amino-2,3-dideoxyhexopyranosyl)oxy]-4-[(2,6-diamino-2,6-dideoxyhexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanimidic acid--carbonic acid (2/1)

Molecular Formula	C45H90N12O25
Molecular Weight	1198.614 g/mol
LogP	-14.6348
Topological Polar Surface Area	693.0 Ų
Hydrogen Bond Donors	26
Hydrogen Bond Acceptors	35
Rotatable Bonds	20
Exact Mass	1198.614
Monoisotopic Mass	1198.614
Heavy Atoms	82
Complexity	815.0

Chemical Identifiers

CAS Number	83071-96-9
SMILES	C1C(C(C(C(C1NC(=O)C(CCN)O)OC2CC(C(C(O2)CO)O)N)O)OC3C(C(C(C(O3)CN)O)O)N)N.C1C(C(C(C(C1NC(=O)C(CCN)O)OC2CC(C(C(O2)CO)O)N)O)OC3C(C(C(C(O3)CN)O)O)N)N.C(=O)(O)O
InChIKey	GXLIAVWTSGUGBV-UHFFFAOYSA-N