G28
Summary
| Name: | 5-N-acetyl-4-amino-6-diethyl carboxamide-4,5-dihydro-2H-pyran-2-carboxylic acid |
| Synonyms: | 5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID |
| Formula: | C13 H21 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 299.323 Da |
| Component type: | L-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3R,4S)-3-(acetylamino)-4-amino-2-(diethylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid (non-preferred name) |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{S})-3-acetamido-4-azanyl-2-(diethylcarbamoyl)-3,4-dihydro-2~{H}-pyran-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(O)(=O)C1=CC(C(NC(=O)C)C(O1)C(=O)N(CC)CC)N |
| InChI | InChI | 1.03 | InChI=1S/C13H21N3O5/c1-4-16(5-2)12(18)11-10(15-7(3)17)8(14)6-9(21-11)13(19)20/h6,8,10-11H,4-5,14H2,1-3H3,(H,15,17)(H,19,20)/t8-,10+,11+/m0/s1 |
| InChIKey | InChI | 1.03 | YQUCNOUQEZHVSC-JMJZKYOTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CCN(CC)C(=O)[CH]1OC(=C[CH](N)[CH]1NC(C)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CC)C(=O)[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)C(=O)C1C(C(C=C(O1)C(=O)O)N)NC(=O)C |
