233
Summary
| Name: | [5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-PENTYL]-CARBAMIC ACID METHYL ESTER |
| Synonyms: | BMSC-0013 |
| Formula: | C14 H26 N2 O8 |
| Formal charge: | 0 |
| Formula weight: | 350.365 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-{6-[(methoxycarbonyl)amino]hexanoyl}-beta-D-galactopyranosylamine |
| OpenEye OEToolkits | 1.5.0 | methyl N-[6-oxo-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]hexyl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1OC(C(O)C(O)C1O)CO)CCCCCNC(=O)OC |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)NCCCCCC(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | COC(=O)NCCCCCC(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC(=O)NCCCCCC(=O)N[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC(=O)NCCCCCC(=O)NC1C(C(C(C(O1)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H26N2O8/c1-23-14(22)15-6-4-2-3-5-9(18)16-13-12(21)11(20)10(19)8(7-17)24-13/h8,10-13,17,19-21H,2-7H2,1H3,(H,15,22)(H,16,18)/t8-,10+,11+,12-,13-/m1/s1 |
| InChIKey | InChI | 1.03 | YTYAKGJMNHDUDF-UUWLPUTASA-N |
