化学式

CAS号

IUPAC Name

1-(二甲基氨基)-6-[3-[2-[2-[(2S,3S,4R,6R)-6-[[(1R,2R,5R,6S,7S,8R,9R,11R,13S,14R)-2-乙基-8-[(2S,3R,4S,6R)-3-羟基-6-甲基-4-(甲基氨基)四氢吡喃-2-基]氧基-9-甲氧基-1,5,7,9,11,13-六甲基-4,12,16-三氧代-3,15,17-trioxabicyclo[12.3.0]十七烷-6-基]氧基]-4-甲氧基-2,4-dimethyloxan-3-基]oxyethylsulfonyl]乙氨基]丙基] 1-(dimethylamino)-6-[3-[2-[2-[(2S,3S,4R,6R)-6-[[(1R,2R,5R,6S,7S,8R,9R,11R,13S,14R)-2-ethyl-8-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,15,17-trioxabicyclo[12.3.0]heptadecan-6-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxyethylsulfonyl]ethylamino]propyl]-4-oxoquinoline-3-carboxylic acid

InChI

InChI=1S/C57H90N4O19S/c1-16-42-57(10)49(79-54(68)80-57)33(4)44(62)31(2)28-55(8,71-14)48(78-53-46(64)40(58-11)26-32(3)74-53)34(5)47(35(6)52(67)76-42)77-43-29-56(9,72-15)50(36(7)75-43)73-23-25-81(69,70)24-22-59-21-17-18-37-19-20-41-38(27-37)45(63)39(51(65)66)30-61(41)60(12)13/h19-20,27,30-36,40,42-43,46-50,53,58-59,64H,16-18,21-26,28-29H2,1-15H3,(H,65,66)/t31-,32-,33-,34+,35-,36+,40+,42-,43+,46-,47+,48-,49-,50+,53+,55-,56-,57-/m1/s1

InChI Key

GMOHRDFQURZLQG-BDEPZJKJSA-N

Canonical SMILES

CCC1C2(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)OCCS(=O)(=O)CCNCCCC4=CC5=C(C=C4)N(C=C(C5=O)C(=O)O)N(C)C)(C)OC)C)OC6C(C(CC(O6)C)NC)O)(C)OC)C)C)OC(=O)O2)C

别名

• SCHEMBL13799118