Try beta.chemspider
- 3 of 5 defined stereocentres
(5S,8S,14S)-8-(3-Carbamimidamidopropyl)-17-carboxy-14-(carboxymethyl)-5-(4-hydroxybenzyl)-3,6,9,12,15-pentaoxo-1-thionia-4,7,10,13,16-pentaazacyclooctadecan-1-olate
c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NC(C[S+](CC(=O)N2)[O-])C(=O)O)CC(=O)O)CCCNC(=N)N)O
InChI=1S/C26H36N8O11S/c27-26(28)29-7-1-2-15-22(40)30-10-19(36)31-17(9-21(38)39)24(42)34-18(25(43)44)11-46(45)12-20(37)32-16(23(41)33-15)8-13-3-5-14(35)6-4-13/h3-6,15-18,35H,1-2,7-12H2,(H,30,40)(H,31,36)(H,32,37)(H,33,41)(H,34,42)(H,38,39)(H,43,44)(H4,27,28,29)/t15-,16-,17-,18?,46?/m0/s1
DMXRDQJVBMEHPP-SKZLXOMOSA-N
CSID:30809075, http://www.chemspider.com/Chemical-Structure.30809075.html (accessed 07:58, Jul 27, 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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