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-[3-[[(1S,2R,18R,19R,22S,25R,28R,40S [(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-[3-[[(1S,2R,18R,19R,22S,25R,28R,40S)-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carbonyl]amino]propyl]carbamate

InChI

InChI=1S/C109H151Cl2N13O37/c1-20-72-109(14)92(160-105(145)161-109)50(8)124(18)43-46(4)40-107(12,146)91(158-102-84(132)64(123(16)17)31-47(5)148-102)48(6)87(49(7)101(143)154-72)155-75-42-108(13,147-19)93(52(10)150-75)159-104(144)116-29-21-28-115-96(138)79-59-37-57(126)38-66(128)76(59)58-32-53(22-25-65(58)127)77-97(139)122-81(100(142)120-79)83(131)55-24-27-68(61(111)34-55)152-70-36-56-35-69(88(70)157-103-89(86(134)85(133)71(44-125)153-103)156-74-41-106(11,113)90(135)51(9)149-74)151-67-26-23-54(33-60(67)110)82(130)80(121-94(136)62(114-15)30-45(2)3)99(141)117-63(39-73(112)129)95(137)118-78(56)98(140)119-77/h22-27,32-38,45-52,62-64,71-72,74-75,77-87,89-93,102-103,114,125-128,130-135,146H,20-21,28-31,39-44,113H2,1-19H3,(H2,112,129)(H,115,138)(H,116,144)(H,117,141)(H,118,137)(H,119,140)(H,120,142)(H,121,136)(H,122,139)/t46-,47-,48+,49-,50-,51+,52+,62-,63+,64+,71-,72-,74+,75+,77-,78-,79+,80-,81+,82-,83-,84-,85-,86+,87+,89-,90-,91-,92-,93+,102+,103+,106+,107-,108-,109+/m1/s1

InChI Key

VISFRMSBWPOVGH-YOBPLRJTSA-N

Canonical SMILES

CCC1C2(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)OC(=O)NCCCNC(=O)C4C5=C(C(=CC(=C5)O)O)C6=C(C=CC(=C6)C7C(=O)NC(C(C8=CC(=C(C=C8)OC9=C(C1=CC(=C9)C(C(=O)N7)NC(=O)C(NC(=O)C(C(C3=CC(=C(O1)C=C3)Cl)O)NC(=O)C(CC(C)C)NC)CC(=O)N)OC1C(C(C(C(O1)CO)O)O)OC1CC(C(C(O1)C)O)(C)N)Cl)O)C(=O)N4)O)(C)OC)C)OC1C(C(CC(O1)C)N(C)C)O)(C)O)C)C)C)OC(=O)O2)C

别名

• CHEMBL4556537