(3S,4R,5R,6R)-2-(aminomethyl)-5-azanyl-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-bis(azanyl)-2-[(2R,3R,4R,5S,6R)-3-azanyl-4,5-bis(oxidanyl)-6-[[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylamino]methyl]oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-diol

Systemtic Name: (3S,4R,5R,6R)-2-(aminomethyl)-5-azanyl-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-bis(azanyl)-2-[(2R,3R,4R,5S,6R)-3-azanyl-4,5-bis(oxidanyl)-6-[[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylamino]methyl]oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-diol Openeye Name: (3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(2-tetralin-5-ylethylamino)methyl]tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-tetrahydropyran-3,4-diol CAS Name: (3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylamino]methyl]-2-oxanyl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]oxy]oxane-3,4-diol IUPAC Name: (3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethylamino]methyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol Traditional Name: (3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(2-tetralin-5-ylethylamino)methyl]tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]oxy-tetrahydropyran-3,4-diol Formula: C35H60N6O13 MolecularWeight: 772.8833

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC=C2CCNCC3C(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

C1CCC2=C(C1)C=CC=C2CCNC[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/C35H60N6O13/c36-11-19-25(44)27(46)22(39)33(49-19)53-31-21(13-42)51-35(29(31)48)54-32-24(43)17(37)10-18(38)30(32)52-34-23(40)28(47)26(45)20(50-34)12-41-9-8-15-6-3-5-14-4-1-2-7-16(14)15/h3,5-6,17-35,41-48H,1-2,4,7-13,36-40H2/t17-,18+,19?,20-,21-,22-,23-,24+,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35+/m1/s1