9V6
Summary
| Name: | (2S)-2-azanyl-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acid |
| Formula: | C14 H19 Cl N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 314.765 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H19ClN2O4/c15-11-6-2-1-5-10(11)9-21-14(20)17-8-4-3-7-12(16)13(18)19/h1-2,5-6,12H,3-4,7-9,16H2,(H,17,20)(H,18,19)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | YCQVFPIEKSYHFI-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCNC(=O)OCc1ccccc1Cl)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCNC(=O)OCc1ccccc1Cl)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)COC(=O)NCCCCC(C(=O)O)N)Cl |
