AC1LX4XT
(2S)-4-methylsulfinyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
Also Known As: (2S)-4-(methylsulfinyl)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid|(2S)-4-(methylsulfinyl)-2-{[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]amino}butanoic acid|(2S)-4-methylsulfinyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
| Molecular Formula | C22H25NO7S |
|---|---|
| Molecular Weight | 447.13516 g/mol |
| LogP | 2.73506 |
| Topological Polar Surface Area | 126.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.13516 |
| Monoisotopic Mass | 447.13516 |
| Heavy Atoms | 31 |
| Complexity | 1254.4414 |
Chemical Identifiers
| CAS Number | 956705-22-9 |
|---|---|
| SMILES | CC1=C(OC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)N[C@@H](CCS(=O)C)C(=O)O)C)C |
Product Overview
AC1LX4XT (CAS 956705-22-9), with molecular formula C22H25NO7S and molecular weight 447.13516 g/mol. IUPAC: (2S)-4-methylsulfinyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid.
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