DNP
Summary
Name: | 3-AMINO-ALANINE |
Formula: | C3 H9 N2 O2 |
Formal charge: | 1 |
Formula weight: | 105.116 Da |
Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 3-ammonio-L-alanine |
OpenEye OEToolkits | 1.5.0 | [(2S)-2-amino-3-hydroxy-3-oxo-propyl]azanium |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N)C[NH3+] |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](C[NH3+])C(O)=O |
SMILES | CACTVS | 3.341 | N[CH](C[NH3+])C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H](C(=O)O)N)[NH3+] |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)O)N)[NH3+] |
InChI | InChI | 1.03 | InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/p+1/t2-/m0/s1 |
InChIKey | InChI | 1.03 | PECYZEOJVXMISF-REOHCLBHSA-O |