(3S,4R,5R,6R)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-2-[(2R,3R,4R,5S,6R)-6-[[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethylamino]methyl]-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(azanyl)-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-2-(aminomethyl)-5-azanyl-oxane-3,4-diol

Systemtic Name: (3S,4R,5R,6R)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-2-[(2R,3R,4R,5S,6R)-6-[[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethylamino]methyl]-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(azanyl)-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-2-(aminomethyl)-5-azanyl-oxane-3,4-diol Openeye Name: (3S,4R,5R,6R)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-2-[(2R,3R,4R,5S,6R)-6-[[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethylamino]methyl]-3-amino-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-3,5-diamino-6-hydroxy-cyclohexoxy]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-5-amino-2-(aminomethyl)tetrahydropyran-3,4-diol CAS Name: (3S,4R,5R,6R)-6-[[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-2-[[(2R,3R,4R,5S,6R)-6-[[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethylamino]methyl]-3-amino-4,5-dihydroxy-2-oxanyl]oxy]-3,5-diamino-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]oxy]-5-amino-2-(aminomethyl)oxane-3,4-diol IUPAC Name: (3S,4R,5R,6R)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-2-[(2R,3R,4R,5S,6R)-6-[[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethylamino]methyl]-3-amino-4,5-dihydroxyoxan-2-yl]oxy-3,5-diamino-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-amino-2-(aminomethyl)oxane-3,4-diol Traditional Name: (3S,4R,5R,6R)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-2-[(2R,3R,4R,5S,6R)-6-[[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethylamino]methyl]-3-amino-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-3,5-diamino-6-hydroxy-cyclohexoxy]-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]oxy-5-amino-2-(aminomethyl)tetrahydropyran-3,4-diol Formula: C33H63N7O13 MolecularWeight: 765.89242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(CN2)CCNCC3C(C(C(C(O3)OC4C(CC(C(C4OC5C(C(C(O5)CO)OC6C(C(C(C(O6)CN)O)O)N)O)O)N)N)N)O)O

Isomeric SMILES

C1CCC2C(C1)C(CN2)CCNC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[C@@H]4[C@H](C[C@H]([C@@H]([C@H]4O[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H](C(O6)CN)O)O)N)O)O)N)N)N)O)O

InChI

InChI=1S/C33H63N7O13/c34-8-17-23(43)25(45)20(37)31(48-17)52-29-19(11-41)50-33(27(29)47)53-30-22(42)14(35)7-15(36)28(30)51-32-21(38)26(46)24(44)18(49-32)10-39-6-5-12-9-40-16-4-2-1-3-13(12)16/h12-33,39-47H,1-11,34-38H2/t12?,13?,14-,15+,16?,17?,18-,19-,20-,21-,22+,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+/m1/s1