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

Systemtic Name: 3-[(1R,2S,3S,4R,5S)-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2R,3S,4R,5R,6S)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-1-(3-azanylpropyl)-1-oxidanyl-urea Openeye Name: 3-[(1R,2S,3S,4R,5S)-5-amino-2-[(2R,3S,4R,5R,6S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]-1-(3-aminopropyl)-1-hydroxy-urea CAS Name: 3-[(1R,2S,3S,4R,5S)-5-amino-2-[[(2R,3S,4R,5R,6S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-[[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxy-2-oxanyl]oxy]-3-hydroxycyclohexyl]-1-(3-aminopropyl)-1-hydroxyurea IUPAC Name: 3-[(1R,2S,3S,4R,5S)-5-amino-2-[(2R,3S,4R,5R,6S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(3-aminopropyl)-1-hydroxyurea Traditional Name: 3-[(1R,2S,3S,4R,5S)-5-amino-2-[(2R,3S,4R,5R,6S)-4-amino-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]-1-(3-aminopropyl)-1-hydroxy-urea Formula: C22H44N6O13 MolecularWeight: 600.61716

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1NC(=O)N(CCCN)O)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)N(CCCN)O)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/C22H44N6O13/c23-2-1-3-28(37)22(36)27-8-4-7(25)18(40-21-16(34)15(33)13(31)9(5-24)38-21)17(35)19(8)41-20-14(32)11(26)12(30)10(6-29)39-20/h7-21,29-35,37H,1-6,23-26H2,(H,27,36)/t7-,8+,9+,10-,11+,12-,13+,14-,15-,16+,17-,18+,19-,20-,21+/m0/s1