[(2S,3R,4S,5S,6R)-2-[(1S,2S,3R,4S,6R)-3-[(2R,3R,6S)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-4-azanyl-6-[[(2R)-4-azanyl-2-oxidanyl-butanoyl]amino]-2-oxidanyl-cyclohexyl]oxy-4-azanyl-6-(hydroxymethyl)-5-oxidanyl-oxan-3-yl] dihydrogen phosphate

Systemtic Name: [(2S,3R,4S,5S,6R)-2-[(1S,2S,3R,4S,6R)-3-[(2R,3R,6S)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-4-azanyl-6-[[(2R)-4-azanyl-2-oxidanyl-butanoyl]amino]-2-oxidanyl-cyclohexyl]oxy-4-azanyl-6-(hydroxymethyl)-5-oxidanyl-oxan-3-yl] dihydrogen phosphate Openeye Name: [(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]oxy-6-[[(2R)-4-amino-2-hydroxy-butanoyl]amino]-2-hydroxy-cyclohexoxy]-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] dihydrogen phosphate CAS Name: [(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[(2R,3R,6S)-3-amino-6-(aminomethyl)-2-oxanyl]oxy]-6-[[(2R)-4-amino-2-hydroxy-1-oxobutyl]amino]-2-hydroxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)-3-oxanyl] dihydrogen phosphate IUPAC Name: [(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-[[(2R)-4-amino-2-hydroxybutanoyl]amino]-2-hydroxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] dihydrogen phosphate Traditional Name: [(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]oxy-6-[[(2R)-4-amino-2-hydroxy-butanoyl]amino]-2-hydroxy-cyclohexoxy]-5-hydroxy-6-methylol-tetrahydropyran-3-yl] dihydrogen phosphate Formula: C22H45N6O13P MolecularWeight: 632.598861

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(OC1CN)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)N)OP(=O)(O)O)NC(=O)C(CCN)O)N)N

Isomeric SMILES

C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)OP(=O)(O)O)NC(=O)[C@@H](CCN)O)N)N

InChI

InChI=1S/C22H45N6O13P/c23-4-3-12(30)20(33)28-11-5-10(26)17(39-21-9(25)2-1-8(6-24)37-21)16(32)18(11)40-22-19(41-42(34,35)36)14(27)15(31)13(7-29)38-22/h8-19,21-22,29-32H,1-7,23-27H2,(H,28,33)(H2,34,35,36)/t8-,9+,10-,11+,12+,13+,14-,15+,16-,17+,18-,19+,21+,22+/m0/s1