2H9
Summary
| Name: | N-[(S)-[(2R)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-L-glutamic acid |
| Formula: | C15 H19 N2 O10 P |
| Formal charge: | 0 |
| Formula weight: | 418.293 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(S)-[(2R)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-L-glutamic acid |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-[[[(2R)-2-benzamido-3-oxidanyl-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl]amino]pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)O)COP(=O)(O)NC(C(=O)O)CCC(=O)O)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C15H19N2O10P/c18-12(19)7-6-10(14(21)22)17-28(25,26)27-8-11(15(23)24)16-13(20)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,16,20)(H,18,19)(H,21,22)(H,23,24)(H2,17,25,26)/t10-,11+/m0/s1 |
| InChIKey | InChI | 1.03 | FMKMCQXFKJRGIQ-WDEREUQCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CC[C@H](N[P](O)(=O)OC[C@@H](NC(=O)c1ccccc1)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CC[CH](N[P](O)(=O)OC[CH](NC(=O)c1ccccc1)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C(=O)N[C@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C(=O)NC(COP(=O)(NC(CCC(=O)O)C(=O)O)O)C(=O)O |
