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S-[2-(N7-Guanyl)ethyl]glutathione , CAS No.100840-34-4
a known DNA adduct formed as a result of glutathione (GSH)-dependent base-substitution mutations caused by the carci
Basic Description
Synonyms | N5-((R)-3-((2-(2-Amino-6-oxo-3,6-dihydro-7H-purin-7-yl)ethyl)thio)-1-((carboxymethyl)amino)-1-oxopropan-2-yl)-L-glutamine | (2S)-2-amino-5-[[(2R)-3-[2-(2-amino-6-oxo-1H-purin-7-yl)ethylsulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoi |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
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Names and Identifiers
IUPAC Name | (2S)-2-amino-5-[[(2R)-3-[2-(2-amino-6-oxo-1H-purin-7-yl)ethylsulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid |
INCHI | InChI=1S/C17H24N8O7S/c18-8(16(31)32)1-2-10(26)22-9(14(29)20-5-11(27)28)6-33-4-3-25-7-21-13-12(25)15(30)24-17(19)23-13/h7-9H,1-6,18H2,(H,20,29)(H,22,26)(H,27,28)(H,31,32)(H3,19,23,24,30)/t8-,9-/m0/s1 |
InChi Key | OMBANDXHJRVCNU-IUCAKERBSA-N |
Canonical SMILES | C1=NC2=C(N1CCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NC(=N2)N |
Isomeric SMILES | C1=NC2=C(N1CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NC(=N2)N |
PubChem CID | 135625227 |
Molecular Weight | 484.49 |
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