BBL
Summary
| Name: | N-[(BENZYLOXY)CARBONYL]-L-ALANINE |
| Synonyms: | N-BENZYLOXYCARBONYL-L-SERINE-BETALACTONE |
| Formula: | C11 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 223.225 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(benzyloxy)carbonyl]-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-phenylmethoxycarbonylaminopropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)OCc1ccccc1)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](NC(=O)OCc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](NC(=O)OCc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](C(=O)O)NC(=O)OCc1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)O)NC(=O)OCc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | TYRGLVWXHJRKMT-QMMMGPOBSA-N |
