Try beta.chemspider
- 13 of 15 defined stereocentres
5-[(1S,2S)-2-{(2S,6R,11R,12S,14aR,15R,16R,20R,23R,25aR)-20-[(1S)-3-Amino-1-hydroxy-3-oxopropyl]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxo-9-[(4-{5-[4-(pentyloxy )phenyl]-1,2-oxazol-3-yl}benzoyl)amino]tetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl}-1,2-dihydroxyethyl]-2-hydroxyphenyl hydrogen sulfate
CCCCCOc1ccc(cc1)c2cc(no2)c3ccc(cc3)C(=O)NC4C[C@H]([C@@H](NC(=O)[C@H]5[C@@H]([C@@H](CN5C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H]6C[C@@H](CN6C(=O)[C@H](NC4=O)[C@@H](C)O)O)C([C@H](c7ccc(c(c7)OS(=O)(=O)O)O)O)O)[C@H](CC(=O)N)O)C)O)O)O
InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26-,31+,34?,35-,37+,38-,42-,43-,44-,45-,46-,47+,48?,52+/m1/s1
PIEUQSKUWLMALL-QHXXUSENSA-N
CSID:5034730, http://www.chemspider.com/Chemical-Structure.5034730.html (accessed 02:38, Apr 30, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
Advertisement
Spotlight