3WT
Summary
| Name: | (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoic acid |
| Formula: | C10 H21 N O3 |
| Formal charge: | 0 |
| Formula weight: | 203.279 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoic acid |
| OpenEye OEToolkits | 1.9.2 | (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC(OC)C(NC)C(C)CC |
| InChI | InChI | 1.03 | InChI=1S/C10H21NO3/c1-5-7(2)10(11-3)8(14-4)6-9(12)13/h7-8,10-11H,5-6H2,1-4H3,(H,12,13)/t7-,8+,10-/m0/s1 |
| InChIKey | InChI | 1.03 | GHCBYDBRCQYPPL-XKSSXDPKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](C)[C@H](NC)[C@@H](CC(O)=O)OC |
| SMILES | CACTVS | 3.385 | CC[CH](C)[CH](NC)[CH](CC(O)=O)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC[C@H](C)[C@@H]([C@@H](CC(=O)O)OC)NC |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCC(C)C(C(CC(=O)O)OC)NC |
