2-[(1R,2R,3S,5R,6S)-2-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(azanyl)-6-oxidanyl-cyclohexyl]oxy-N-[8-[2-[(1R,2R,3S,5R,6S)-2-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(azanyl)-6-oxidanyl-cyclohexyl]oxyethanoylamino]octyl]ethanamide

Systemtic Name: 2-[(1R,2R,3S,5R,6S)-2-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(azanyl)-6-oxidanyl-cyclohexyl]oxy-N-[8-[2-[(1R,2R,3S,5R,6S)-2-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(azanyl)-6-oxidanyl-cyclohexyl]oxyethanoylamino]octyl]ethanamide Openeye Name: 2-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]-N-[8-[[2-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]acetyl]amino]octyl]acetamide CAS Name: 2-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxy-2-oxanyl]oxy]-6-hydroxycyclohexyl]oxy-N-[8-[[2-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxy-2-oxanyl]oxy]-6-hydroxycyclohexyl]oxy-1-oxoethyl]amino]octyl]acetamide IUPAC Name: 2-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-N-[8-[[2-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxyacetyl]amino]octyl]acetamide Traditional Name: 2-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]-N-[8-[[2-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]acetyl]amino]octyl]acetamide Formula: C36H72N10O14 MolecularWeight: 869.01548

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OCC(=O)NCCCCCCCCNC(=O)COC3C(C(CC(C3OC4C(C(C(C(O4)CN)O)O)N)N)N)O)O)N

Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)OCC(=O)NCCCCCCCCNC(=O)CO[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CN)O)O)N)N)N)O)O)N

InChI

InChI=1S/C36H72N10O14/c37-11-19-27(51)29(53)23(43)35(57-19)59-31-17(41)9-15(39)25(49)33(31)55-13-21(47)45-7-5-3-1-2-4-6-8-46-22(48)14-56-34-26(50)16(40)10-18(42)32(34)60-36-24(44)30(54)28(52)20(12-38)58-36/h15-20,23-36,49-54H,1-14,37-44H2,(H,45,47)(H,46,48)/t15-,16-,17+,18+,19-,20-,23-,24-,25+,26+,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m1/s1