1QI
Summary
| Name: | (2R,4S,5S)-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid |
| Formula: | C15 H23 N O3 |
| Formal charge: | 0 |
| Formula weight: | 265.348 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},4~{S},5~{S})-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H23NO3/c1-10(2)14(16)13(17)9-12(15(18)19)8-11-6-4-3-5-7-11/h3-7,10,12-14,17H,8-9,16H2,1-2H3,(H,18,19)/t12-,13+,14+/m1/s1 |
| InChIKey | InChI | 1.03 | NTLNICDVBOLIQC-RDBSUJKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](N)[C@@H](O)C[C@@H](Cc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)[CH](N)[CH](O)C[CH](Cc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@@H]([C@H](C[C@@H](Cc1ccccc1)C(=O)O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(C(CC(Cc1ccccc1)C(=O)O)O)N |
