2JG
Summary
| Name: | (2S)-2-amino-3-oxopropyl hexanoate |
| Formula: | C9 H17 N O3 |
| Formal charge: | 0 |
| Formula weight: | 187.236 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-3-oxopropyl hexanoate |
| OpenEye OEToolkits | 1.7.6 | [(2S)-2-azanyl-3-oxidanylidene-propyl] hexanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CC(N)COC(=O)CCCCC |
| InChI | InChI | 1.03 | InChI=1S/C9H17NO3/c1-2-3-4-5-9(12)13-7-8(10)6-11/h6,8H,2-5,7,10H2,1H3/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | TWFYCPDKEVVTJF-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC(=O)OC[C@H](N)C=O |
| SMILES | CACTVS | 3.385 | CCCCCC(=O)OC[CH](N)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCC(=O)OC[C@@H](C=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCC(=O)OCC(C=O)N |
