AE5
Summary
| Name: | N-[(2S)-2-amino-2-carboxyethyl]-L-glutamic acid |
| Formula: | C8 H14 N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 234.207 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2S)-2-amino-2-carboxyethyl]-L-glutamic acid |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-[[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]amino]pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CNC(C(=O)O)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H14N2O6/c9-4(7(13)14)3-10-5(8(15)16)1-2-6(11)12/h4-5,10H,1-3,9H2,(H,11,12)(H,13,14)(H,15,16)/t4-,5-/m0/s1 |
| InChIKey | InChI | 1.03 | XYQHCOGLGSNTNV-WHFBIAKZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CN[C@@H](CCC(O)=O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CN[CH](CCC(O)=O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CC(=O)O)[C@@H](C(=O)O)NC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CC(=O)O)C(C(=O)O)NCC(C(=O)O)N |
