2QD
Summary
| Name: | (4R)-4-[3-(methylamino)-3-oxopropyl]-L-glutamic acid |
| Formula: | C9 H16 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 232.234 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R)-4-[3-(methylamino)-3-oxopropyl]-L-glutamic acid |
| OpenEye OEToolkits | 1.7.6 | (2S,4R)-2-azanyl-4-[3-(methylamino)-3-oxidanylidene-propyl]pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CC(C(=O)O)CCC(=O)NC |
| InChI | InChI | 1.03 | InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | NIJAFEMYFNBSBE-RITPCOANSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CNC(=O)CC[CH](C[CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNC(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNC(=O)CCC(CC(C(=O)O)N)C(=O)O |
