9YT
Summary
Name: | (2~{S})-4-acetamido-2-azanyl-butanoic acid |
Formula: | C6 H12 N2 O3 |
Formal charge: | 0 |
Formula weight: | 160.171 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | (2~{S})-4-acetamido-2-azanyl-butanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C6H12N2O3/c1-4(9)8-3-2-5(7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1 |
InChIKey | InChI | 1.03 | YLZRFVZUZIJABA-YFKPBYRVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCC[C@H](N)C(O)=O |
SMILES | CACTVS | 3.385 | CC(=O)NCC[CH](N)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)NCC[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NCCC(C(=O)O)N |