GSO
Summary
| Name: | L-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-2-PHENYLETHYL]-L-CYSTEINYLGLYCINE |
| Formula: | C18 H25 N3 O7 S |
| Formal charge: | 0 |
| Formula weight: | 427.472 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | L-gamma-glutamyl-S-[(2S)-2-hydroxy-2-phenylethyl]-L-cysteinylglycine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(2S)-2-hydroxy-2-phenyl-ethyl]sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSCC(O)c1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCC(=O)N[C@@H](CSC[C@@H](O)c1ccccc1)C(=O)NCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCC(=O)N[CH](CSC[CH](O)c1ccccc1)C(=O)NCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)[C@@H](CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C18H25N3O7S/c19-12(18(27)28)6-7-15(23)21-13(17(26)20-8-16(24)25)9-29-10-14(22)11-4-2-1-3-5-11/h1-5,12-14,22H,6-10,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t12-,13-,14+/m0/s1 |
| InChIKey | InChI | 1.03 | SZOWFFWYTHGUAW-MELADBBJSA-N |
