Try beta.chemspider
- 4 of 4 defined stereocentres
(2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-2-oxo-1-[(2,4,6-trinitrocyclohexa-2,5-dien-1-yl)sulfanylmethyl]ethyl]amino]-5-oxo-pentanoic acid
C1=C([C@@H](C(=C[C@H]1[N+](=O)[O-])[N+](=O)[O-])SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[N+](=O)[O-]
InChI=1S/C16H20N6O12S/c17-8(16(27)28)1-2-12(23)19-9(15(26)18-5-13(24)25)6-35-14-10(21(31)32)3-7(20(29)30)4-11(14)22(33)34/h3-4,7-9,14H,1-2,5-6,17H2,(H,18,26)(H,19,23)(H,24,25)(H,27,28)/t7-,8-,9-,14-/m0/s1
VQUXYLXGOSJDJJ-FMCOEWMSSA-N
CSID:26354056, http://www.chemspider.com/Chemical-Structure.26354056.html (accessed 11:56, Jun 12, 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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