Try beta.chemspider
- 3 of 15 defined stereocentres
5-(2-{(14aR,20R,25aR)-20-[(1S)-3-Amino-1-hydroxy-3-oxopropyl]-2,11,12,15-tetrahydroxy-6-(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
CCCCCOC1C=CC(=CC=1)C1=CC(=NO1)C1C=CC(=CC=1)C(=O)NC1CC(O)C(O)NC(=O)[C@H]2C(O)C(C)CN2C(=O)[C@H](NC(=O)C(NC(=O)[C@H]2CC(O)CN2C(=O)C(NC1=O)C(C)O)C(O)C(O)C1C=CC(O)=C(C=1)OS(O)(=O)=O)C(O)CC(N)=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-KMYBKBAWSA-N
CSID:78431631, http://www.chemspider.com/Chemical-Structure.78431631.html (accessed 02:01, 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
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