Basic information
- CAS
5410-66-2- Standard SMILES
NC(=O)Nc1ccc([As](SCC(N)C(=O)O)SCC(N)C(=O)O)cc1- InChIKey
ZIIWCXOVOGATTO-UHFFFAOYSA-N- Molecular formula
- C13H19AsN4O5S2
- Average molar mass
- 450.4 g/mol
- Monoisotopic mass
- 450.001282
Names & identifiers
- Preferred name
- Antineoplastic-12664
- IUPAC
- 2-amino-3-[(2-amino-2-carboxyethyl)sulfanyl-[4-(carbamoylamino)phenyl]arsanyl]sulfanylpropanoic acid
Names & synonyms
ANTINEOPLASTIC-12664NSC126645410-66-2NSC-12664
Database identifiers
- CAS
5410-66-2- PubChem CID
- 224293
Properties
Computed structural properties
- Topological polar surface area
- 232 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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