6-Oxa-3-thia-2,4,7,10-tetraazaundec-7-enoic acid, 2-ethyl-4,10-dimethyl-8-(methylthio)-5,9-dioxo-, hexyl ester
Basic information
- CAS
65907-58-6- Standard SMILES
CCCCCCOC(=O)N(CC)SN(C)C(=O)O/N=C(\SC)C(=O)N(C)C- InChIKey
JGXJOZOWBYLLHR-LGMDPLHJSA-N- Molecular formula
- C16H30N4O5S2
- Average molar mass
- 422.6 g/mol
- Monoisotopic mass
- 422.16576242
Names & identifiers
- Preferred name
- 6-Oxa-3-thia-2,4,7,10-tetraazaundec-7-enoic acid, 2-ethyl-4,10-dimethyl-8-(methylthio)-5,9-dioxo-, hexyl ester
- IUPAC
- methyl (1Z)-2-(dimethylamino)-N-[[ethyl(hexoxycarbonyl)amino]sulfanyl-methylcarbamoyl]oxy-2-oxoethanimidothioate
Names & synonyms
6-Oxa-3-thia-2,4,7,10-tetraazaundec-7-enoic acid, 2-ethyl-4,10-dimethyl-8-(methylthio)-5,9-dioxo-, hexyl ester65907-58-6RefChem:1074124BRN 2183030
Database identifiers
- CAS
65907-58-6- PubChem CID
- 9587992
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 517
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Compound notes
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