AO1
Summary
| Name: | (2S,3R)-3-AMINO-2-HYDROXY-5-(ETHYLSULFANYL)PENTANOYL-((S)-(-)-(1-NAPHTHYL)ETHYL)AMIDE |
| Formula: | C19 H26 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 346.487 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3S)-3-amino-5-(ethylsulfanyl)-2-hydroxy-N-[(1S)-1-naphthalen-1-ylethyl]pentanamide (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (2S,3S)-3-amino-5-ethylsulfanyl-2-hydroxy-N-[(1S)-1-naphthalen-1-ylethyl]pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(c2cccc1ccccc12)C)C(O)C(N)CCSCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCSCC[C@H](N)[C@H](O)C(=O)N[C@@H](C)c1cccc2ccccc12 |
| SMILES | CACTVS | 3.341 | CCSCC[CH](N)[CH](O)C(=O)N[CH](C)c1cccc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCSCC[C@@H]([C@@H](C(=O)N[C@@H](C)c1cccc2c1cccc2)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCSCCC(C(C(=O)NC(C)c1cccc2c1cccc2)O)N |
| InChI | InChI | 1.03 | InChI=1S/C19H26N2O2S/c1-3-24-12-11-17(20)18(22)19(23)21-13(2)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,13,17-18,22H,3,11-12,20H2,1-2H3,(H,21,23)/t13-,17-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | AIIOXZPEXXZCML-KKXDTOCCSA-N |
