DQK
Summary
| Name: | (2~{S})-4-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-2-naphthalen-2-ylsulfanyl-4-oxidanylidene-butanoic acid |
| Formula: | C20 H24 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 388.481 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-4-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-2-naphthalen-2-ylsulfanyl-4-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H24N2O4S/c21-16(13-23)7-3-4-10-22-19(24)12-18(20(25)26)27-17-9-8-14-5-1-2-6-15(14)11-17/h1-2,5-6,8-9,11,13,16,18H,3-4,7,10,12,21H2,(H,22,24)(H,25,26)/t16-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | QTMVJIQLLCUJNO-WMZOPIPTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCNC(=O)C[C@H](Sc1ccc2ccccc2c1)C(O)=O)C=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCNC(=O)C[CH](Sc1ccc2ccccc2c1)C(O)=O)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2cc(ccc2c1)S[C@@H](CC(=O)NCCCC[C@@H](C=O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2cc(ccc2c1)SC(CC(=O)NCCCCC(C=O)N)C(=O)O |
