AKZ
Summary
Name: | (3S)-3-amino-4,4-dihydroxybutanoic acid |
Formula: | C4 H9 N O4 |
Formal charge: | 0 |
Formula weight: | 135.119 Da |
Component type: | peptide-like |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (3S)-3-amino-4,4-dihydroxybutanoic acid |
OpenEye OEToolkits | 1.7.0 | (3S)-3-azanyl-4,4-dihydroxy-butanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CC(N)C(O)O |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CC(O)=O)C(O)O |
SMILES | CACTVS | 3.370 | N[CH](CC(O)=O)C(O)O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C([C@@H](C(O)O)N)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | C(C(C(O)O)N)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C4H9NO4/c5-2(4(8)9)1-3(6)7/h2,4,8-9H,1,5H2,(H,6,7)/t2-/m0/s1 |
InChIKey | InChI | 1.03 | LYEGQEPZJLIWSB-REOHCLBHSA-N |