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,19R,22R,37R,40R,52S)-22 [(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,19R,22R,37R,40R,52S)-22-amino-5,15-dichloro-2,26,31,44,47,49,64-heptahydroxy-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carbonyl]amino]ethyl]carbamate

InChI

InChI=1S/C100H119Cl2N11O31/c1-15-71-100(10)85(143-97(131)144-100)46(6)113(13)41-42(2)39-98(8,132)84(141-95-81(120)62(112(11)12)26-43(3)134-95)44(4)83(45(5)94(129)139-71)140-72-40-99(9,133-14)86(47(7)135-72)142-96(130)105-25-24-104-89(124)78-58-37-55(115)38-65(118)73(58)57-31-50(18-20-63(57)116)75-90(125)111-79(93(128)110-78)80(119)51-19-23-67(60(102)32-51)138-70-35-53-34-69(82(70)121)137-66-22-16-48(27-59(66)101)28-61-87(122)107-76(91(126)109-77(53)92(127)108-75)52-29-54(114)36-56(30-52)136-68-33-49(17-21-64(68)117)74(103)88(123)106-61/h16-23,27,29-38,42-47,61-62,71-72,74-81,83-86,95,114-121,132H,15,24-26,28,39-41,103H2,1-14H3,(H,104,124)(H,105,130)(H,106,123)(H,107,122)(H,108,127)(H,109,126)(H,110,128)(H,111,125)/t42-,43-,44+,45-,46-,47+,61-,62+,71-,72+,74-,75-,76?,77-,78+,79+,80-,81-,83+,84-,85-,86+,95+,98-,99-,100+/m1/s1

InChI Key

WWNJYNMANNTTGS-QBRGGOTISA-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=CC1=CC(=C9O)OC3=C(C=C(CC5C(=O)NC(C6=CC(=CC(=C6)OC6=C(C=CC(=C6)C(C(=O)N5)N)O)O)C(=O)NC1C(=O)N7)C=C3)Cl)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

• CHEMBL4560683