I1V
Summary
| Name: | (2~{R})-2-azanyl-~{N}'-[(2~{S},6~{R})-6,7-bis(azanyl)-1-oxidanyl-7-oxidanylidene-heptan-2-yl]pentanediamide |
| Formula: | C12 H25 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 303.358 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-~{N}'-[(2~{S},6~{R})-6,7-bis(azanyl)-1-oxidanyl-7-oxidanylidene-heptan-2-yl]pentanediamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H25N5O4/c13-8(11(15)20)3-1-2-7(6-18)17-10(19)5-4-9(14)12(16)21/h7-9,18H,1-6,13-14H2,(H2,15,20)(H2,16,21)(H,17,19)/t7-,8+,9+/m0/s1 |
| InChIKey | InChI | 1.06 | JJMJHAUQDTZOGG-DJLDLDEBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](CCC[C@@H](CO)NC(=O)CC[C@@H](N)C(N)=O)C(N)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCC[CH](CO)NC(=O)CC[CH](N)C(N)=O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(C[C@@H](CO)NC(=O)CC[C@H](C(=O)N)N)C[C@H](C(=O)N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CC(CO)NC(=O)CCC(C(=O)N)N)CC(C(=O)N)N |
