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- 3 of 3 defined stereocentres
(6S,11S,16S)-18-(4-{[(2-Amino-4-hydroxy-6-pteridinyl)methyl]amino}phenyl)-3,8,13,18-tetraoxo-2-oxa-7,12,17-triazaoctadecane-6,11,16-tricarboxylic acid (non-preferred name)
COC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc2cnc3c(n2)c(nc(n3)N)O
InChI=1S/C30H35N9O12/c1-51-22(42)11-8-18(28(47)48)36-20(40)9-6-17(27(45)46)35-21(41)10-7-19(29(49)50)37-25(43)14-2-4-15(5-3-14)32-12-16-13-33-24-23(34-16)26(44)39-30(31)38-24/h2-5,13,17-19,32H,6-12H2,1H3,(H,35,41)(H,36,40)(H,37,43)(H,45,46)(H,47,48)(H,49,50)(H3,31,33,38,39,44)/t17-,18-,19-/m0/s1
QFJLNHHKALOVNL-FHWLQOOXSA-N
CSID:32700109, http://www.chemspider.com/Chemical-Structure.32700109.html (accessed 17:08, May 16, 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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