36D
Summary
| Name: | N-[(2R,3S)-3-amino-2-hydroxy-4-(thiophen-2-yl)butanoyl]-L-norvaline |
| Formula: | C13 H20 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 300.374 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2R,3S)-3-amino-2-hydroxy-4-(thiophen-2-yl)butanoyl]-L-norvaline |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-[[(2R,3S)-3-azanyl-2-oxidanyl-4-thiophen-2-yl-butanoyl]amino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(NC(=O)C(O)C(N)Cc1sccc1)CCC |
| InChI | InChI | 1.03 | InChI=1S/C13H20N2O4S/c1-2-4-10(13(18)19)15-12(17)11(16)9(14)7-8-5-3-6-20-8/h3,5-6,9-11,16H,2,4,7,14H2,1H3,(H,15,17)(H,18,19)/t9-,10-,11+/m0/s1 |
| InChIKey | InChI | 1.03 | JIAWDFUANYGAGK-GARJFASQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[C@H](NC(=O)[C@H](O)[C@@H](N)Cc1sccc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CCC[CH](NC(=O)[CH](O)[CH](N)Cc1sccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCC[C@@H](C(=O)O)NC(=O)[C@@H]([C@H](Cc1cccs1)N)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCC(C(=O)O)NC(=O)C(C(Cc1cccs1)N)O |
