F58
Summary
| Name: | N-[(cyclohexylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine |
| Synonyms: | N-[(cyclohexylcarbonyl)carbamoyl]-beta-D-glucosylamine N-[(cyclohexylcarbonyl)carbamoyl]-D-glucosylamine; N-[(cyclohexylcarbonyl)carbamoyl]-glucosylamine |
| Formula: | C14 H24 N2 O7 |
| Formal charge: | 0 |
| Formula weight: | 332.35 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(cyclohexylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine |
| OpenEye OEToolkits | 1.7.6 | N-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]carbamoyl]cyclohexanecarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)C2CCCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C14H24N2O7/c17-6-8-9(18)10(19)11(20)13(23-8)16-14(22)15-12(21)7-4-2-1-3-5-7/h7-11,13,17-20H,1-6H2,(H2,15,16,21,22)/t8-,9-,10+,11-,13-/m1/s1 |
| InChIKey | InChI | 1.03 | CKZJXIPUYBZFJC-BZNQNGANSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H]1O[C@@H](NC(=O)NC(=O)C2CCCCC2)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | OC[CH]1O[CH](NC(=O)NC(=O)C2CCCCC2)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CCC(CC1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CCC(CC1)C(=O)NC(=O)NC2C(C(C(C(O2)CO)O)O)O |
