BYT
Summary
| Name: | Biocytin |
| Synonyms: | N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysine |
| Formula: | C16 H28 N4 O4 S |
| Formal charge: | 0 |
| Formula weight: | 372.483 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysine |
| OpenEye OEToolkits | 1.7.6 | (2S)-6-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-azanyl-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1 |
| InChIKey | InChI | 1.03 | BAQMYDQNMFBZNA-MNXVOIDGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCNC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C2C(C(S1)CCCCC(=O)NCCCCC(C(=O)O)N)NC(=O)N2 |
