PCS
Summary
| Name: | PHENYLALANYLMETHYLCHLORIDE |
| Formula: | C10 H12 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 197.661 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S)-3-amino-1-chloro-4-phenylbutan-2-one |
| OpenEye OEToolkits | 1.5.0 | (3S)-3-amino-1-chloro-4-phenyl-butan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | ClCC(=O)C(N)Cc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1ccccc1)C(=O)CCl |
| SMILES | CACTVS | 3.341 | N[CH](Cc1ccccc1)C(=O)CCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C[C@@H](C(=O)CCl)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(C(=O)CCl)N |
| InChI | InChI | 1.03 | InChI=1S/C10H12ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | CNNSBPMDYXZFTQ-VIFPVBQESA-N |
