3-azanylpropyl N-[(1R,2S,3S,4R,5S)-4-[(2S,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2S,3R,4S,5S,6R)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]carbamate

Systemtic Name: 3-azanylpropyl N-[(1R,2S,3S,4R,5S)-4-[(2S,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2S,3R,4S,5S,6R)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]carbamate Openeye Name: 3-aminopropyl N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]carbamate CAS Name: N-[(1R,2S,3S,4R,5S)-5-amino-2-[[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-[[(2S,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxy-2-oxanyl]oxy]-3-hydroxycyclohexyl]carbamic acid 3-aminopropyl ester IUPAC Name: 3-aminopropyl N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]carbamate Traditional Name: N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]carbamic acid 3-aminopropyl ester Formula: C22H43N5O13 MolecularWeight: 585.60252

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1NC(=O)OCCCN)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)O)N

Isomeric SMILES

C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)OCCCN)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N

InChI

InChI=1S/C22H43N5O13/c23-2-1-3-36-22(35)27-8-4-7(25)18(39-21-16(33)15(32)13(30)9(5-24)37-21)17(34)19(8)40-20-14(31)11(26)12(29)10(6-28)38-20/h7-21,28-34H,1-6,23-26H2,(H,27,35)/t7-,8+,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,20+,21-/m0/s1