C6S
Summary
| Name: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid |
| Formula: | C16 H20 B N O5 |
| Formal charge: | 0 |
| Formula weight: | 317.145 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H20BNO5/c19-15(10-5-2-1-3-6-10)18-13-9-11-7-4-8-12(16(20)21)14(11)23-17(13)22/h4,7-8,10,13,22H,1-3,5-6,9H2,(H,18,19)(H,20,21)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | ZRHUJXRVIMMHFG-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB1Oc2c(C[C@@H]1NC(=O)C3CCCCC3)cccc2C(O)=O |
| SMILES | CACTVS | 3.385 | OB1Oc2c(C[CH]1NC(=O)C3CCCCC3)cccc2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | B1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)C3CCCCC3)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | B1(C(Cc2cccc(c2O1)C(=O)O)NC(=O)C3CCCCC3)O |
