化学式

CAS号

55171-82-9

IUPAC Name

(2R)-2-aminobutanedioic acid;(1R,2R,5R,6S,7S,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(二甲基氨基)-3-羟基-6-methyloxan-2-基]氧基-2-乙基-9-羟基-6-[(2R,4R,5S,6S)-5-羟基-4-甲氧基-4,6-dimethyloxan-2-基]氧基-1,5,7,9,11,13-六甲基-3,15,17-trioxabicyclo[12.3.0]十七烷-4,12,16-三酮 (2R)-2-aminobutanedioic acid;(1R,2R,5R,6S,7S,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,5,7,9,11,13-hexamethyl-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,12,16-trione

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

InChI Key

ULTGIAYPXSUURB-GWDFWZKWSA-N

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

别名

• Erythromycin A cyclic carbonate L-aspartate
• Erythromycin A 11,12-carbonate L-aspartate
• Erythromycin, cyclic 11,12-carbonate, L-aspartate (1:1) (salt)
• L-Aspartic acid, compd. with erythromycin cyclic 11,12-carbonate (1:1)
• 55171-82-9
• LS-64656