Antineoplastic-12658
2-amino-3-[(2-amino-2-carboxyethyl)sulfanyl-(3-sulfamoylphenyl)arsanyl]sulfanylpropanoic acid
Also Known As: ANTINEOPLASTIC-12658|3,3'-{[(3-sulfamoylphenyl)arsanediyl]disulfanediyl}bis(2-aminopropanoic acid)(non-preferred name)|2-amino-3-[(2-amino-2-carboxy-ethyl)sulfanyl-(3-sulfamoylphenyl)arsanyl]sulfanyl-propanoic acid|2-amino-3-[(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-(3-sulfamoylphenyl)arsanyl]sulfanylpropanoic acid
| Molecular Formula | C12H18AsN3O6S3 |
|---|---|
| Molecular Weight | 470.95737 g/mol |
| LogP | -1.6806 |
| Topological Polar Surface Area | 246.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 470.95737 |
| Monoisotopic Mass | 470.95737 |
| Heavy Atoms | 25 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 5433-98-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[As](SCC(C(=O)O)N)SCC(C(=O)O)N)S(=O)(=O)N |
| InChIKey | OFQPRHXTIYWTGX-UHFFFAOYSA-N |
Product Overview
Antineoplastic-12658 (CAS 5433-98-7), with molecular formula C12H18AsN3O6S3 and molecular weight 470.95737 g/mol. IUPAC: 2-amino-3-[(2-amino-2-carboxyethyl)sulfanyl-(3-sulfamoylphenyl)arsanyl]sulfanylpropanoic acid.
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