PY0
Summary
Name: | (1S,2S)-1-amino-1,2-dihydroxypropan-1-olate |
Formula: | C3 H8 N O3 |
Formal charge: | -1 |
Formula weight: | 106.101 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (1S,2S)-1-amino-1,2-dihydroxypropan-1-olate |
OpenEye OEToolkits | 1.6.1 | (1S,2S)-1-amino-1,2-dihydroxy-propan-1-olate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-]C(O)(N)C(O)C |
SMILES_CANONICAL | CACTVS | 3.352 | C[C@H](O)[C@@](N)(O)[O-] |
SMILES | CACTVS | 3.352 | C[CH](O)[C](N)(O)[O-] |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C[C@@H]([C@@](N)(O)[O-])O |
SMILES | OpenEye OEToolkits | 1.6.1 | CC(C(N)(O)[O-])O |
InChI | InChI | 1.03 | InChI=1S/C3H8NO3/c1-2(5)3(4,6)7/h2,5-6H,4H2,1H3/q-1/t2-,3+/m0/s1 |
InChIKey | InChI | 1.03 | ISJWJWXATCJUBY-STHAYSLISA-N |