A1ILR
Summary
| Name: | (2~{R})-2-azanyl-3-(2~{H}-thiophen-5-ylcarbonylamino)propanoic acid |
| Formula: | C8 H12 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 216.257 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-3-(2~{H}-thiophen-5-ylcarbonylamino)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H12N2O3S/c9-5(8(12)13)4-10-7(11)6-2-1-3-14-6/h1-2,5,14H,3-4,9H2,(H,10,11)(H,12,13)/t5-/m1/s1 |
| InChIKey | InChI | 1.06 | LLJIKQBQQAOIEI-RXMQYKEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](CNC(=O)C1=[SH]CC=C1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CNC(=O)C1=[SH]CC=C1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C=CC(=S1)C(=O)NC[C@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C=CC(=S1)C(=O)NCC(C(=O)O)N |
