CE7
Summary
Name: | (3S)-3-amino-4,4,4-trihydroxybutanamide |
Formula: | C4 H10 N2 O4 |
Formal charge: | 0 |
Formula weight: | 150.133 Da |
Component type: | L-peptide linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (3S)-3-amino-4,4,4-trihydroxybutanamide |
OpenEye OEToolkits | 2.0.6 | (3~{S})-3-azanyl-4,4,4-tris(oxidanyl)butanamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(C(N)=O)C(N)C(O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C4H10N2O4/c5-2(1-3(6)7)4(8,9)10/h2,8-10H,1,5H2,(H2,6,7)/t2-/m0/s1 |
InChIKey | InChI | 1.03 | USGVMGIFCLHDGU-REOHCLBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC(N)=O)C(O)(O)O |
SMILES | CACTVS | 3.385 | N[CH](CC(N)=O)C(O)(O)O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C([C@@H](C(O)(O)O)N)C(=O)N |
SMILES | OpenEye OEToolkits | 2.0.6 | C(C(C(O)(O)O)N)C(=O)N |