PDB CCD ID: | GTD | ||||||||||||
Number of entries in BioLiP: | 13 | ||||||||||||
Chemical formula: | C16 H20 N6 O12 S | ||||||||||||
InChI: | 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 | ||||||||||||
InChIKey: | VQUXYLXGOSJDJJ-OSGJSWLFSA-N | ||||||||||||
SMILES: |
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Name: | 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE; (S)-2-AMINO-5-((R)-1-(CARBOXYMETHYLAMINO)-1-OXO-3-(2,4,6-TRINITROCYCLOHEXA-2,5-DIENYLTHIO)PROPAN-2-YLAMINO)-5-OXOPENTANOIC ACID |