BWS
Summary
| Name: | L-gamma-glutamyl-L-alanylglycine |
| Formula: | C10 H17 N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 275.258 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | L-gamma-glutamyl-L-alanylglycine |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-5-[[(2~{S})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(CCC(=O)NC(C(NCC(=O)O)=O)C)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H17N3O6/c1-5(9(17)12-4-8(15)16)13-7(14)3-2-6(11)10(18)19/h5-6H,2-4,11H2,1H3,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | RPVCUZZJCXVVDW-WDSKDSINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N |
