(2R)-2-azanylbutanedioic acid; (1R,2R,4R,6R,8S,9S,10R,13R,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-9-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-6-oxidanyl-12,15,17-trioxabicyclo[12.3.0]heptadecane-3,11,16-trione

Systemtic Name: (2R)-2-azanylbutanedioic acid; (1R,2R,4R,6R,8S,9S,10R,13R,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-9-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-6-oxidanyl-12,15,17-trioxabicyclo[12.3.0]heptadecane-3,11,16-trione Openeye Name: (2R)-2-aminobutanedioic acid; (1R,2R,4R,6R,8S,9S,10R,13R,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-hydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,6,8,10,14-hexamethyl-12,15,17-trioxabicyclo[12.3.0]heptadecane-3,11,16-trione CAS Name: (2R)-2-aminobutanedioic acid; (1R,2R,4R,6R,8S,9S,10R,13R,14R)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-6-hydroxy-9-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-2,4,6,8,10,14-hexamethyl-12,15,17-trioxabicyclo[12.3.0]heptadecane-3,11,16-trione IUPAC Name: (2R)-2-aminobutanedioic acid; (1R,2R,4R,6R,8S,9S,10R,13R,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-hydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-12,15,17-trioxabicyclo[12.3.0]heptadecane-3,11,16-trione Traditional Name: (2R)-2-aminosuccinic acid; (1R,2R,4R,6R,8S,9S,10R,13R,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-hydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,6,8,10,14-hexamethyl-12,15,17-trioxabicyclo[12.3.0]heptadecane-3,11,16-trione Formula: C42H72N2O18 MolecularWeight: 893.02368

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C)C)OC(=O)O2)C.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@](C([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)C)OC(=O)O2)C.C([C@H](C(=O)O)N)C(=O)O

InChI

InChI=1S/C38H65NO14.C4H7NO4/c1-14-25-38(10)32(52-35(44)53-38)20(4)27(40)18(2)16-36(8,45)31(51-34-28(41)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-37(9,46-13)30(42)23(7)48-26;5-2(4(8)9)1-3(6)7/h18-26,28-32,34,41-42,45H,14-17H2,1-13H3;2H,1,5H2,(H,6,7)(H,8,9)/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30+,31?,32-,34+,36-,37-,38-;2-/m11/s1