AC1O3UBX
ethoxymethyl-[2-[[(2S)-1-[[(2S)-1-ethoxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium
Also Known As: L-Valine, N-(N-(((ethoxymethylphosphinothioyl)thio)acetyl)-L-alanyl)-, ethyl ester|ethoxymethyl-[2-[[(2S)-1-[[(2S)-1-ethoxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium|Ethyl N-(8,11-dihydroxy-10-methyl-5-sulfanylidene-3-oxa-6-thia-9-aza-5-phosphoniaundec-8-en-11-ylidene)valinate|Ethyl N-[(10S)-8,11-dihydroxy-10-methyl-5-sulfanylidene-3-oxa-6-thia-9-aza-5-phosphoniaundec-8-en-11-ylidene]-L-valinate
| Molecular Formula | C15H28N2O5PS2+ |
|---|---|
| Molecular Weight | 411.11774 g/mol |
| LogP | 1.781 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 411.11774 |
| Monoisotopic Mass | 411.11774 |
| Heavy Atoms | 25 |
| Complexity | 476.83807 |
Chemical Identifiers
| CAS Number | 68030-49-9 |
|---|---|
| SMILES | CCOC[P+](=S)SCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)OCC |
Product Overview
AC1O3UBX (CAS 68030-49-9), with molecular formula C15H28N2O5PS2+ and molecular weight 411.11774 g/mol. IUPAC: ethoxymethyl-[2-[[(2S)-1-[[(2S)-1-ethoxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]sulfanyl-sulfanylidenephosphanium.
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