9TX
Summary
| Name: | N6-{[(3-ethynylphenyl)methoxy]carbonyl}-L-lysine |
| Formula: | C16 H20 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 304.341 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~6~-{[(3-ethynylphenyl)methoxy]carbonyl}-L-lysine |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-6-[(3-ethynylphenyl)methoxycarbonylamino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cc(C#C)ccc1)COC(NCCCCC(C(=O)O)N)=O |
| InChI | InChI | 1.03 | InChI=1S/C16H20N2O4/c1-2-12-6-5-7-13(10-12)11-22-16(21)18-9-4-3-8-14(17)15(19)20/h1,5-7,10,14H,3-4,8-9,11,17H2,(H,18,21)(H,19,20)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | BSKNEGUYHOBMNA-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCNC(=O)OCc1cccc(c1)C#C)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCNC(=O)OCc1cccc(c1)C#C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C#Cc1cccc(c1)COC(=O)NCCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C#Cc1cccc(c1)COC(=O)NCCCCC(C(=O)O)N |
