(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-6-[[2-(2-methoxyphenyl)ethylamino]methyl]-4,5-bis(oxidanyl)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-6-[[2-(2-methoxyphenyl)ethylamino]methyl]-4,5-bis(oxidanyl)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-(2-methoxyphenyl)ethylamino]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-(2-methoxyphenyl)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-(2-methoxyphenyl)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-(2-methoxyphenyl)ethylamino]methyl]tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]oxy-tetrahydropyran-3,4-diol Formula: C32H56N6O14 MolecularWeight: 748.81884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNCC2C(C(C(C(O2)OC3C(CC(C(C3OC4C(C(C(O4)CO)OC5C(C(C(C(O5)CN)O)O)N)O)O)N)N)N)O)O

Isomeric SMILES

COC1=CC=CC=C1CCNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H](C(O5)CN)O)O)N)O)O)N)N)N)O)O

InChI

InChI=1S/C32H56N6O14/c1-46-15-5-3-2-4-12(15)6-7-38-10-17-23(42)25(44)20(37)31(48-17)50-27-14(35)8-13(34)21(40)29(27)52-32-26(45)28(18(11-39)49-32)51-30-19(36)24(43)22(41)16(9-33)47-30/h2-5,13-14,16-32,38-45H,6-11,33-37H2,1H3/t13-,14+,16?,17-,18-,19-,20-,21+,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+/m1/s1