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-[2-[[(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-[2-[[(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]ethyl]carbamate

InChI

InChI=1S/C108H149Cl2N13O37/c1-20-71-108(14)91(159-104(144)160-108)49(8)123(18)42-45(4)39-106(12,145)90(157-101-83(131)63(122(16)17)30-46(5)147-101)47(6)86(48(7)100(142)153-71)154-74-41-107(13,146-19)92(51(10)149-74)158-103(143)115-28-27-114-95(137)78-58-36-56(125)37-65(127)75(58)57-31-52(21-24-64(57)126)76-96(138)121-80(99(141)119-78)82(130)54-23-26-67(60(110)33-54)151-69-35-55-34-68(87(69)156-102-88(85(133)84(132)70(43-124)152-102)155-73-40-105(11,112)89(134)50(9)148-73)150-66-25-22-53(32-59(66)109)81(129)79(120-93(135)61(113-15)29-44(2)3)98(140)116-62(38-72(111)128)94(136)117-77(55)97(139)118-76/h21-26,31-37,44-51,61-63,70-71,73-74,76-86,88-92,101-102,113,124-127,129-134,145H,20,27-30,38-43,112H2,1-19H3,(H2,111,128)(H,114,137)(H,115,143)(H,116,140)(H,117,136)(H,118,139)(H,119,141)(H,120,135)(H,121,138)/t45-,46-,47+,48-,49-,50+,51+,61-,62+,63+,70-,71-,73+,74+,76-,77-,78+,79-,80+,81-,82-,83-,84-,85+,86+,88-,89-,90-,91-,92+,101+,102+,105+,106-,107-,108+/m1/s1

InChI Key

ACLCPQVHZNEGMQ-IOCRMHQYSA-N

Canonical SMILES

CCC1C2(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)OC(=O)NCCNC(=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

• CHEMBL4463445