YTF
Summary
| Name: | ethyl (4~{S})-4,7-bis(azanyl)-7-oxidanylidene-heptanoate |
| Formula: | C9 H18 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 202.251 Da |
| Component type: | L-peptide COOH carboxy terminus |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ethyl (4~{S})-4,7-bis(azanyl)-7-oxidanylidene-heptanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H18N2O3/c1-2-14-9(13)6-4-7(10)3-5-8(11)12/h7H,2-6,10H2,1H3,(H2,11,12)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | ZEVHIIRETBYBHR-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CC[C@@H](N)CCC(N)=O |
| SMILES | CACTVS | 3.385 | CCOC(=O)CC[CH](N)CCC(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)CC[C@H](CCC(=O)N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)CCC(CCC(=O)N)N |
