PRD_000459
Summary
| Name: | N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide |
| Synonyms: | Tos-Lys-CH2Cl |
| Formula: | C14 H21 Cl N2 O3 S |
| Formal charge: | 0 |
| Fomular weight: | 332.846 |
| Component type: | peptide-like |
| Polymer sequences: | TSU, LYS, 0QE |
| Non-polymer components: | |
| BIRD class: | Inhibitor |
| Represented as: | single molecule |
| Families: | FAM_900026 |
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-4-methylbenzenesulfonamide |
| OpenEye OEToolkits | 1.7.0 | N-[(3S)-7-azanyl-1-chloro-2-oxo-heptan-3-yl]-4-methyl-benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(NC(C(=O)CCl)CCCCN)c1ccc(cc1)C |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(cc1)[S](=O)(=O)N[C@@H](CCCCN)C(=O)CCl |
| SMILES | CACTVS | 3.370 | Cc1ccc(cc1)[S](=O)(=O)N[CH](CCCCN)C(=O)CCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1)S(=O)(=O)NC(CCCCN)C(=O)CCl |
| InChI | InChI | 1.03 | InChI=1S/C14H21ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13,17H,2-4,9-10,16H2,1H3/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | RDFCSSHDJSZMTQ-ZDUSSCGKSA-N |
