FOG
Summary
| Name: | (4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid |
| Formula: | C12 H17 N O3 |
| Formal charge: | 0 |
| Formula weight: | 223.268 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid |
| OpenEye OEToolkits | 1.7.6 | (4S,5S)-5-azanyl-4-oxidanyl-6-phenyl-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCC(O)C(N)Cc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C12H17NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8,13H2,(H,15,16)/t10-,11-/m0/s1 |
| InChIKey | InChI | 1.03 | RZDSOGPADIZKDQ-QWRGUYRKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1ccccc1)[C@@H](O)CCC(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccccc1)[CH](O)CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C[C@@H]([C@H](CCC(=O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CC(C(CCC(=O)O)O)N |
