3O3
Summary
| Name: | N-[(3S)-3-amino-3-carboxypropyl]-L-glutamic acid |
| Formula: | C9 H16 N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 248.233 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(3S)-3-amino-3-carboxypropyl]-L-glutamic acid |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-[[(3S)-3-azanyl-4-hydroxy-4-oxo-butyl]amino]pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(NCCC(N)C(=O)O)CCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCN[C@@H](CCC(O)=O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CCN[CH](CCC(O)=O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C(CC(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(CC(=O)O)C(C(=O)O)NCCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H16N2O6/c10-5(8(14)15)3-4-11-6(9(16)17)1-2-7(12)13/h5-6,11H,1-4,10H2,(H,12,13)(H,14,15)(H,16,17)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | VTEXNADNTYNYRI-WDSKDSINSA-N |
