化学式

CAS号

IUPAC Name

[(2S,3S,4R,6R)-6-[[(1S,2R,5R,6S,7S,8R,9R,11R,14R,15R)-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-1,5,7,9,11,13,14-庚甲基-4,17-二氧代-3,16,18-三氧杂-13-氮杂双环[13.3.0]octadecan-6-基]氧基]-4-甲氧基-2,4-dimethyloxan-3-基]N-[4-氧代-4-(2-苯乙氨基)丁基]氨基甲酯 [(2S,3S,4R,6R)-6-[[(1S,2R,5R,6S,7S,8R,9R,11R,14R,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-1,5,7,9,11,13,14-heptamethyl-4,17-dioxo-3,16,18-trioxa-13-azabicyclo[13.3.0]octadecan-6-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate

InChI

InChI=1S/C52H86N4O15/c1-15-38-52(10)44(70-49(61)71-52)34(6)56(13)29-30(2)27-50(8,62)43(68-47-41(58)37(55(11)12)26-31(3)64-47)32(4)42(33(5)46(59)66-38)67-40-28-51(9,63-14)45(35(7)65-40)69-48(60)54-24-19-22-39(57)53-25-23-36-20-17-16-18-21-36/h16-18,20-21,30-35,37-38,40-45,47,58,62H,15,19,22-29H2,1-14H3,(H,53,57)(H,54,60)/t30-,31-,32+,33-,34-,35+,37+,38-,40+,41-,42+,43-,44-,45+,47+,50-,51-,52+/m1/s1

InChI Key

HSIIOYNMMAZURU-MWOUNAJXSA-N

Canonical SMILES

CCC1C2(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)OC(=O)NCCCC(=O)NCCC4=CC=CC=C4)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)(C)O)C)C)C)OC(=O)O2)C

别名

• Carbonic acid (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-[[4-O-[[4-(phenethylamino)-4-oxobutyl]carbamoyl]-3-C,3-O-dimethyl-2,6-dideoxy-alpha-L-ribo-hexopyranosyl]oxy]-2-ethyl-10-hydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3-(dimethylamino)-3,4,6-trideoxy-beta-D-xylo-hexopyranosyl]oxy]-15-oxo-1-oxa-6-azacyclopentadecane-3,4-diyl ester