trisodium 4-(4-azanyl-3-methyl-4-oxidanylidene-butan-2-yl)oxy-6-[[6-[[5-(4-azanyl-3-methyl-4-oxidanylidene-butan-2-yl)oxy-2-carboxylato-6-(methoxymethyl)-4-oxidanyl-oxan-3-yl]methoxymethyl]-2-carboxylato-4,5-bis(oxidanyl)oxan-3-yl]methoxymethyl]-3-(methoxymethyl)-5-oxidanyl-oxane-2-carboxylate

Systemtic Name: trisodium 4-(4-azanyl-3-methyl-4-oxidanylidene-butan-2-yl)oxy-6-[[6-[[5-(4-azanyl-3-methyl-4-oxidanylidene-butan-2-yl)oxy-2-carboxylato-6-(methoxymethyl)-4-oxidanyl-oxan-3-yl]methoxymethyl]-2-carboxylato-4,5-bis(oxidanyl)oxan-3-yl]methoxymethyl]-3-(methoxymethyl)-5-oxidanyl-oxane-2-carboxylate Openeye Name: trisodium 4-(3-amino-1,2-dimethyl-3-oxo-propoxy)-6-[[6-[[5-(3-amino-1,2-dimethyl-3-oxo-propoxy)-2-carboxylato-4-hydroxy-6-(methoxymethyl)tetrahydropyran-3-yl]methoxymethyl]-2-carboxylato-4,5-dihydroxy-tetrahydropyran-3-yl]methoxymethyl]-5-hydroxy-3-(methoxymethyl)tetrahydropyran-2-carboxylate CAS Name: trisodium 4-(4-amino-3-methyl-4-oxobutan-2-yl)oxy-6-[[6-[[5-(4-amino-3-methyl-4-oxobutan-2-yl)oxy-2-carboxylato-4-hydroxy-6-(methoxymethyl)-3-oxanyl]methoxymethyl]-2-carboxylato-4,5-dihydroxy-3-oxanyl]methoxymethyl]-5-hydroxy-3-(methoxymethyl)-2-oxanecarboxylate IUPAC Name: trisodium 4-(4-amino-3-methyl-4-oxobutan-2-yl)oxy-6-[[6-[[5-(4-amino-3-methyl-4-oxobutan-2-yl)oxy-2-carboxylato-4-hydroxy-6-(methoxymethyl)oxan-3-yl]methoxymethyl]-2-carboxylato-4,5-dihydroxyoxan-3-yl]methoxymethyl]-5-hydroxy-3-(methoxymethyl)oxane-2-carboxylate Traditional Name: trisodium 4-(3-amino-3-keto-1,2-dimethyl-propoxy)-6-[[6-[[5-(3-amino-3-keto-1,2-dimethyl-propoxy)-2-carboxylato-4-hydroxy-6-(methoxymethyl)tetrahydropyran-3-yl]methoxymethyl]-2-carboxylato-4,5-dihydroxy-tetrahydropyran-3-yl]methoxymethyl]-5-hydroxy-3-(methoxymethyl)tetrahydropyran-2-carboxylate Formula: C36H57N2Na3O21 MolecularWeight: 922.80789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)OC1C(C(OC(C1O)COCC2C(C(C(OC2C(=O)[O-])COCC3C(C(C(OC3C(=O)[O-])COC)OC(C)C(C)C(=O)N)O)O)O)C(=O)[O-])COC)C(=O)N.[Na+].[Na+].[Na+]

Isomeric SMILES

CC(C(C)OC1C(C(OC(C1O)COCC2C(C(C(OC2C(=O)[O-])COCC3C(C(C(OC3C(=O)[O-])COC)OC(C)C(C)C(=O)N)O)O)O)C(=O)[O-])COC)C(=O)N.[Na+].[Na+].[Na+]

InChI

InChI=1S/C36H60N2O21.3Na/c1-13(32(37)43)15(3)55-27-19(7-51-5)30(36(49)50)58-21(26(27)42)12-53-8-17-23(39)25(41)20(57-28(17)34(45)46)11-54-9-18-24(40)31(56-16(4)14(2)33(38)44)22(10-52-6)59-29(18)35(47)48;;;/h13-31,39-42H,7-12H2,1-6H3,(H2,37,43)(H2,38,44)(H,45,46)(H,47,48)(H,49,50);;;/q;3*+1/p-3