CZ2
Summary
Name: | S-(DIHYDROXYARSINO)CYSTEINE |
Synonyms: | THIARSA DIHYDROXY CYSTEINE |
Formula: | C3 H8 As N O4 S |
Formal charge: | 0 |
Formula weight: | 229.087 Da |
Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | S-(dihydroxyarsanyl)-L-cysteine |
OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-dihydroxyarsanylsulfanyl-propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N)CS[As](O)O |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CS[As](O)O)C(O)=O |
SMILES | CACTVS | 3.341 | N[CH](CS[As](O)O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H](C(=O)O)N)S[As](O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)O)N)S[As](O)O |
InChI | InChI | 1.03 | InChI=1S/C3H8AsNO4S/c5-2(3(6)7)1-10-4(8)9/h2,8-9H,1,5H2,(H,6,7)/t2-/m0/s1 |
InChIKey | InChI | 1.03 | FZFDBYKEUGDOOP-REOHCLBHSA-N |