- 4 of 5 defined stereocentres
Methyl 6-{(3S,6S,9S,15aR)-9-[(2R)-2-butanyl]-6-[(1-methoxy-1H-indol-3-yl)methyl]-1,4,7,10-tetraoxotetradecahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl}hexanoate
CCC(C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC3=CN(C4=CC=CC=C43)OC)CCCCCC(=O)OC
InChI=1S/C33H47N5O7/c1-5-21(2)29-33(43)37-18-12-11-16-27(37)32(42)34-24(14-7-6-8-17-28(39)44-3)30(40)35-25(31(41)36-29)19-22-20-38(45-4)26-15-10-9-13-23(22)26/h9-10,13,15,20-21,24-25,27,29H,5-8,11-12,14,16-19H2,1-4H3,(H,34,42)(H,35,40)(H,36,41)/t21?,24-,25-,27+,29-/m0/s1
MGSMSINQVPOBFG-GZNBNUPPSA-N
CSID:23221070, http://www.chemspider.com/Chemical-Structure.23221070.html (accessed 14:13, Mar 29, 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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