APE
Summary
| Name: | (1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID |
| Formula: | C9 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 180.204 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1R)-1-amino-2-phenylethyl]carbamic acid |
| OpenEye OEToolkits | 1.7.0 | [(1R)-1-azanyl-2-phenyl-ethyl]carbamic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)NC(N)Cc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1ccccc1)NC(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](Cc1ccccc1)NC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C[C@H](N)NC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CC(N)NC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H12N2O2/c10-8(11-9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6,10H2,(H,12,13)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | FLUFSDHXTIFIQO-MRVPVSSYSA-N |
