G21
Summary
| Name: | 5-ACETYLAMINO-4-AMINO-6-(PHENETHYLPROPYLCARBAMOYL)5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID |
| Formula: | C20 H29 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 391.461 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,4S,5R,6R)-5-(acetylamino)-4-amino-6-[(2-phenylethyl)(propyl)carbamoyl]tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (4S,5R,6R)-5-acetamido-4-amino-6-(phenethyl-propyl-carbamoyl)oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C2OC(C(=O)N(CCc1ccccc1)CCC)C(NC(=O)C)C(N)C2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCN(CCc1ccccc1)C(=O)[C@@H]2O[C@H](C[C@H](N)[C@H]2NC(C)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | CCCN(CCc1ccccc1)C(=O)[CH]2O[CH](C[CH](N)[CH]2NC(C)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCN(CCc1ccccc1)C(=O)[C@H]2[C@@H]([C@H](CC(O2)C(=O)O)N)NC(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCN(CCc1ccccc1)C(=O)C2C(C(CC(O2)C(=O)O)N)NC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C20H29N3O5/c1-3-10-23(11-9-14-7-5-4-6-8-14)19(25)18-17(22-13(2)24)15(21)12-16(28-18)20(26)27/h4-8,15-18H,3,9-12,21H2,1-2H3,(H,22,24)(H,26,27)/t15-,16+,17+,18+/m0/s1 |
| InChIKey | InChI | 1.03 | HFHYYLGLPNXPCS-BSDSXHPESA-N |
