T9P
Summary
| Name: | N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide |
| Formula: | C9 H15 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 213.234 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-acetamido-~{N}-prop-2-enyl-butanediamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C(CC(N)=O)C(NC\C=C)=O)C(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H15N3O3/c1-3-4-11-9(15)7(5-8(10)14)12-6(2)13/h3,7H,1,4-5H2,2H3,(H2,10,14)(H,11,15)(H,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | SLTSADPWEPQRIY-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H](CC(N)=O)C(=O)NCC=C |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH](CC(N)=O)C(=O)NCC=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@@H](CC(=O)N)C(=O)NCC=C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC(CC(=O)N)C(=O)NCC=C |
