99T
Summary
Name: | L-gamma-glutamyl-S-(2-carboxyethyl)-L-cysteinylglycine |
Synonyms: | S-(propanoic acid)glutathione |
Formula: | C13 H21 N3 O8 S |
Formal charge: | 0 |
Formula weight: | 379.386 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | L-gamma-glutamyl-S-(2-carboxyethyl)-L-cysteinylglycine |
OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-5-[[(2R)-1-(2-hydroxy-2-oxoethylamino)-3-(3-hydroxy-3-oxopropylsulfanyl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)NCC(=O)O)CSCCC(=O)O)CCC(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C13H21N3O8S/c14-7(13(23)24)1-2-9(17)16-8(6-25-4-3-10(18)19)12(22)15-5-11(20)21/h7-8H,1-6,14H2,(H,15,22)(H,16,17)(H,18,19)(H,20,21)(H,23,24)/t7-,8-/m0/s1 |
InChIKey | InChI | 1.03 | ILLXYSCGSHMUFK-YUMQZZPRSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCC(=O)N[C@@H](CSCCC(O)=O)C(=O)NCC(O)=O)C(O)=O |
SMILES | CACTVS | 3.370 | N[CH](CCC(=O)N[CH](CSCCC(O)=O)C(=O)NCC(O)=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CC(=O)N[C@@H](CSCCC(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | C(CC(=O)NC(CSCCC(=O)O)C(=O)NCC(=O)O)C(C(=O)O)N |