RH0
Summary
| Name: | 3-amino-5-S-benzyl-2,3-dideoxy-5-thio-D-erythro-pentonic acid |
| Formula: | C12 H17 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 255.333 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-amino-5-S-benzyl-2,3-dideoxy-5-thio-D-erythro-pentonic acid |
| OpenEye OEToolkits | 1.7.0 | (3S,4S)-3-azanyl-5-benzylsulfanyl-4-hydroxy-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC(N)C(O)CSCc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CC(O)=O)[C@H](O)CSCc1ccccc1 |
| SMILES | CACTVS | 3.370 | N[CH](CC(O)=O)[CH](O)CSCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CSC[C@H]([C@H](CC(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CSCC(C(CC(=O)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C12H17NO3S/c13-10(6-12(15)16)11(14)8-17-7-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8,13H2,(H,15,16)/t10-,11+/m0/s1 |
| InChIKey | InChI | 1.03 | GEDFPMRZBOLEQA-WDEREUQCSA-N |
