[(3R,4S,5R,6R)-6-azanyl-4-methyl-4,5-bis(oxidanyl)heptan-3-yl] (2R,3S,4S,5R)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-5-[(2R,4R)-2,4-dimethyl-5-oxidanylidene-oxolan-2-yl]-3-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4-dimethyl-pentanoate

Systemtic Name: [(3R,4S,5R,6R)-6-azanyl-4-methyl-4,5-bis(oxidanyl)heptan-3-yl] (2R,3S,4S,5R)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-5-[(2R,4R)-2,4-dimethyl-5-oxidanylidene-oxolan-2-yl]-3-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4-dimethyl-pentanoate Openeye Name: [(1R,2S,3R,4R)-4-amino-1-ethyl-2,3-dihydroxy-2-methyl-pentyl] (2R,3S,4S,5R)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-[(2R,4R)-2,4-dimethyl-5-oxo-tetrahydrofuran-2-yl]-3-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4-dimethyl-pentanoate CAS Name: (2R,3S,4S,5R)-5-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-5-[(2R,4R)-2,4-dimethyl-5-oxo-2-oxolanyl]-3-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-2,4-dimethylpentanoic acid [(3R,4S,5R,6R)-6-amino-4,5-dihydroxy-4-methylheptan-3-yl] ester IUPAC Name: [(3R,4S,5R,6R)-6-amino-4,5-dihydroxy-4-methylheptan-3-yl] (2R,3S,4S,5R)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-[(2R,4R)-2,4-dimethyl-5-oxooxolan-2-yl]-3-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4-dimethylpentanoate Traditional Name: (2R,3S,4S,5R)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-5-[(2R,4R)-5-keto-2,4-dimethyl-tetrahydrofuran-2-yl]-2,4-dimethyl-valeric acid [(1R,2S,3R,4R)-4-amino-1-ethyl-2,3-dihydroxy-2-methyl-pentyl] ester Formula: C37H68N2O13 MolecularWeight: 748.94142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)(C(C(C)N)O)O)OC(=O)C(C)C(C(C)C(C1(CC(C(=O)O1)C)C)OC2C(C(CC(O2)C)N(C)C)O)OC3CC(C(C(O3)C)O)(C)OC

Isomeric SMILES

CC[C@H]([C@](C)([C@@H]([C@@H](C)N)O)O)OC(=O)[C@H](C)[C@H]([C@H](C)[C@H]([C@]1(C[C@H](C(=O)O1)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC

InChI

InChI=1S/C37H68N2O13/c1-14-25(37(10,45)29(41)22(6)38)49-33(44)21(5)28(50-26-17-35(8,46-13)30(42)23(7)48-26)20(4)31(36(9)16-18(2)32(43)52-36)51-34-27(40)24(39(11)12)15-19(3)47-34/h18-31,34,40-42,45H,14-17,38H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,34+,35-,36-,37-/m1/s1