00V
Summary
| Name: | (2S,3S)-3,7-diamino-2-hydroxyheptanoic acid |
| Formula: | C7 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 176.214 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3S)-3,7-diamino-2-hydroxyheptanoic acid |
| OpenEye OEToolkits | 1.7.0 | (2S,3S)-3,7-bis(azanyl)-2-hydroxy-heptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(O)C(N)CCCCN |
| SMILES_CANONICAL | CACTVS | 3.370 | NCCCC[C@H](N)[C@H](O)C(O)=O |
| SMILES | CACTVS | 3.370 | NCCCC[CH](N)[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C(CCN)C[C@@H]([C@@H](C(=O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(CCN)CC(C(C(=O)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H16N2O3/c8-4-2-1-3-5(9)6(10)7(11)12/h5-6,10H,1-4,8-9H2,(H,11,12)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | ICHJIRHABUATNQ-WDSKDSINSA-N |
