(2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-3-(2,4-dinitrophenyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid (Q27093452)

CHEMBL213947 (English)

S-(2,4-dinitrophenyl)glutathione

4 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₁₉N₅O₁₀S

1 reference

CHEMBL213947 (English)

4 October 2016

canonical SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

1 reference

CHEMBL213947 (English)

4 October 2016

isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC[C@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N

1 reference

CHEMBL213947 (English)

InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10+/m0/s1

4 October 2016

Identifiers

InChI

1 reference

CHEMBL213947 (English)

FXEUKVKGTKDDIQ-VHSXEESVSA-N

4 October 2016

InChIKey

1 reference

CHEMBL213947 (English)

4 October 2016

1 reference

L-gamma-Glutamyl-S-(2,4-dinitrophenyl)-D-cysteinylglycine (English)

4 October 2016

2 references

CHEMBL213947 (English)

matched by identifier from

4 October 2016

InChIKey

FXEUKVKGTKDDIQ-VHSXEESVSA-N

1 reference