EYZ
Summary
| Name: | (2~{S})-2-azanyl-6-[[(3~{R})-4-oxidanyl-4-oxidanylidene-3-phenylsulfanyl-butanoyl]amino]hexanoic acid |
| Formula: | C16 H22 N2 O5 S |
| Formal charge: | 0 |
| Formula weight: | 354.421 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-6-[[(3~{R})-4-oxidanyl-4-oxidanylidene-3-phenylsulfanyl-butanoyl]amino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H22N2O5S/c17-12(15(20)21)8-4-5-9-18-14(19)10-13(16(22)23)24-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,17H2,(H,18,19)(H,20,21)(H,22,23)/t12-,13+/m0/s1 |
| InChIKey | InChI | 1.03 | QDDHZGDHQAFAAF-QWHCGFSZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCNC(=O)C[C@@H](Sc1ccccc1)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCNC(=O)C[CH](Sc1ccccc1)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)S[C@H](CC(=O)NCCCC[C@@H](C(=O)O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)SC(CC(=O)NCCCCC(C(=O)O)N)C(=O)O |
