2GR
Summary
| Name: | N-[(S)-[2-(benzoylamino)ethoxy](hydroxy)phosphoryl]-L-glutamic acid |
| Formula: | C14 H19 N2 O8 P |
| Formal charge: | 0 |
| Formula weight: | 374.283 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(S)-[2-(benzoylamino)ethoxy](hydroxy)phosphoryl]-L-glutamic acid |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-[[2-benzamidoethoxy(oxidanyl)phosphoryl]amino]pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCOP(=O)(O)NC(C(=O)O)CCC(=O)O)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C14H19N2O8P/c17-12(18)7-6-11(14(20)21)16-25(22,23)24-9-8-15-13(19)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,19)(H,17,18)(H,20,21)(H2,16,22,23)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | BBHOFRAKRKNSKD-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CC[C@H](N[P](O)(=O)OCCNC(=O)c1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CC[CH](N[P](O)(=O)OCCNC(=O)c1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C(=O)NCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C(=O)NCCOP(=O)(NC(CCC(=O)O)C(=O)O)O |
