FPR
Summary
| Name: | (3S)-3-amino-4-oxo-7-phenylheptanoic acid |
| Formula: | C13 H17 N O3 |
| Formal charge: | 0 |
| Formula weight: | 235.279 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-amino-4-oxo-7-phenylheptanoic acid |
| OpenEye OEToolkits | 1.7.0 | (3S)-3-azanyl-4-oxo-7-phenyl-heptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC(N)C(=O)CCCc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1 |
| SMILES | CACTVS | 3.370 | N[CH](CC(O)=O)C(=O)CCCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CCCC(=O)[C@H](CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CCCC(=O)C(CC(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C13H17NO3/c14-11(9-13(16)17)12(15)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,16,17)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | QYEQYTJKGDCZPC-NSHDSACASA-N |
