2-(3-Octenoylamino)ethyl(carbamoylmethyl)sulfide
Basic information
- CAS
119637-70-6- Standard SMILES
CCCC/C=C/CC(=O)NCCNC(=O)CSSCC(=O)NCCNC(=O)C/C=C/CCCC- InChIKey
VTLPUKVWXWTQAT-UHFFFAOYSA-N- Molecular formula
- C24H42N4O4S2
- Average molar mass
- 514.7 g/mol
- Monoisotopic mass
- 514.26474818
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-(3-Octenoylamino)ethyl(carbamoylmethyl)sulfide
- IUPAC
- (E)-N-[2-[[2-[[2-[2-[[(E)-oct-3-enoyl]amino]ethylamino]-2-oxoethyl]disulfanyl]acetyl]amino]ethyl]oct-3-enamide
- English name
- 2-(3-octenoylamino)ethyl(carbamoylmethyl)sulfide
- Molecular formula
- C24H42N4O4S2
- Molecular weight
- 514.74
Names & synonyms
2-Oaecms2-(3-Octenoylamino)ethyl(carbamoylmethyl)sulfide119637-70-6RefChem:84264(E)-N-[2-[[2-[[2-[2-[[(E)-oct-3-enoyl]amino]ethylamino]-2-oxoethyl]disulfanyl]acetyl]amino]ethyl]oct-3-enamide3-Octenamide, N,N'-(dithiobis((1-oxo-2,1-ethanediyl)imino-2,1-ethanediyl))bis-3-Octenamide, N,N'-[dithiobis[(1-oxo-2,1-ethanediyl)imino-2,1-ethanediyl]]bis- (9CI)
Database identifiers
- CAS
119637-70-6- PubChem CID
- 6450076
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 21
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 588
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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