NPI
Summary
| Name: | (2S)-2-aminoheptanedioic acid |
| Synonyms: | L-2-AMINOPIMELIC ACID |
| Formula: | C7 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 175.182 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-aminoheptanedioic acid |
| OpenEye OEToolkits | 1.7.2 | (2S)-2-azanylheptanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | JUQLUIFNNFIIKC-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCCCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CCCCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C(CCC(=O)O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | C(CCC(=O)O)CC(C(=O)O)N |
