Try beta.chemspider
- 2 of 5 defined stereocentres
(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
C1C(NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)C(NC(=O)C[S+]1[O-])CC2=CC=C(C=C2)O)CCCNC(=N)N)CC(=O)O)C(=O)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-UCPMDLMUSA-N
CSID:23200328, http://www.chemspider.com/Chemical-Structure.23200328.html (accessed 04:43, 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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