2G4
Summary
| Name: | N-[(S)-hydroxy(4-phenylbutoxy)phosphoryl]-L-glutamic acid |
| Formula: | C15 H22 N O7 P |
| Formal charge: | 0 |
| Formula weight: | 359.311 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(S)-hydroxy(4-phenylbutoxy)phosphoryl]-L-glutamic acid |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-[[oxidanyl(4-phenylbutoxy)phosphoryl]amino]pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(NP(=O)(O)OCCCCc1ccccc1)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H22NO7P/c17-14(18)10-9-13(15(19)20)16-24(21,22)23-11-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,18)(H,19,20)(H2,16,21,22)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | QQDXXPMQJXSLMC-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CC[C@H](N[P](O)(=O)OCCCCc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CC[CH](N[P](O)(=O)OCCCCc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CCCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CCCCOP(=O)(NC(CCC(=O)O)C(=O)O)O |
