Try beta.chemspider
- 3 of 3 defined stereocentres
5-{[(1S,14S)-11,18-Dioxo-15-thia-4,9,13-triazahexacyclo[12.6.1.1~3,7~.0~1,16~.0~2,12~.0~10,22~]docosa-2(12),3,7,10(22),16,19-hexaen-20-yl]sulfanyl}-3-methyl-L-histidine
Cn1cnc(c1C[C@@H](C(=O)O)N)SC2=CC(=O)C=C3[C@@]24C[C@H](S3)NC5=C4C6=NCCc7c6c([nH]c7)C5=O
InChI=1S/C25H22N6O4S2/c1-31-9-29-23(13(31)6-12(26)24(34)35)37-15-5-11(32)4-14-25(15)7-16(36-14)30-21-18(25)19-17-10(2-3-27-19)8-28-20(17)22(21)33/h4-5,8-9,12,16,28,30H,2-3,6-7,26H2,1H3,(H,34,35)/t12-,16-,25-/m0/s1
IDKHPZRITBPAFQ-XLCLBUIJSA-N
CSID:26374485, http://www.chemspider.com/Chemical-Structure.26374485.html (accessed 15:05, Apr 26, 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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