SB1
Summary
| Name: | (21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2,3,7,20-TETRAOXOBICYCLO[19.4.0] PENTACOSANE |
| Formula: | C24 H39 N O6 |
| Formal charge: | 0 |
| Formula weight: | 437.57 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (24aS)-17,17-dimethylhexadecahydropyrido[2,1-c][1,9,4]dioxazacyclohenicosine-1,14,18,19(3H,21H)-tetrone |
| OpenEye OEToolkits | 1.5.0 | (21S)-4,4-dimethyl-6,19-dioxa-1-azabicyclo[19.4.0]pentacosane-2,3,7,20-tetrone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1OCCCCCCCCCCCC(=O)OCC(C(=O)C(=O)N2C1CCCC2)(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1(C)COC(=O)CCCCCCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O |
| SMILES | CACTVS | 3.341 | CC1(C)COC(=O)CCCCCCCCCCCOC(=O)[CH]2CCCCN2C(=O)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1(COC(=O)CCCCCCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1(COC(=O)CCCCCCCCCCCOC(=O)C2CCCCN2C(=O)C1=O)C |
| InChI | InChI | 1.03 | InChI=1S/C24H39NO6/c1-24(2)18-31-20(26)15-10-8-6-4-3-5-7-9-13-17-30-23(29)19-14-11-12-16-25(19)22(28)21(24)27/h19H,3-18H2,1-2H3/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | VUCSBBBCFXBFFY-IBGZPJMESA-N |
