SHR
Summary
| Name: | N-(5-AMINO-5-CARBOXYPENTYL)GLUTAMIC ACID |
| Formula: | C11 H20 N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 276.286 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(5S)-5-amino-5-carboxypentyl]-L-glutamic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-[[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]amino]pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCCCNC(C(=O)O)CCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCCCN[C@@H](CCC(O)=O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCCCN[CH](CCC(O)=O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CCNC(CCC(=O)O)C(=O)O)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | ZDGJAHTZVHVLOT-YUMQZZPRSA-N |
