(Q27133560)

IAN-glutathione conjugate (English)

7 October 2016

chemical formula

C₂₀H₂₃N₅O₆S

1 reference

IAN-glutathione conjugate (English)

7 October 2016

canonical SMILES

C1=CC=C2C(=C1)C(=CN2)C(C#N)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

1 reference

IAN-glutathione conjugate (English)

7 October 2016

isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(C#N)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N

1 reference

IAN-glutathione conjugate (English)

InChI=1S/C20H23N5O6S/c21-7-16(12-8-23-14-4-2-1-3-11(12)14)32-10-15(19(29)24-9-18(27)28)25-17(26)6-5-13(22)20(30)31/h1-4,8,13,15-16,23H,5-6,9-10,22H2,(H,24,29)(H,25,26)(H,27,28)(H,30,31)/t13-,15-,16?/m0/s1

7 October 2016

Identifiers

InChI

1 reference

IAN-glutathione conjugate (English)

IYKWLNJKMRZQJG-JFXOEICMSA-N

7 October 2016

InChIKey

2 references

IAN-glutathione conjugate (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

L-gamma-Glutamyl-S-[cyano(1H-indol-3-yl)methyl]-L-cysteinylglycine (English)

7 October 2016

1 reference

IAN-glutathione conjugate (English)

7 October 2016

ChEBI ID

64980

mapping relation type

1 reference