AC1L48XI
(2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-methylbutanoic acid
Also Known As: L-Valine, N-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-|L-Valine, N-[(5-chloro-3,4-dihydro-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-|n-((5-chloro-3,4-dihydro-3-methyl-1-oxo-1h-2-benzopyran-7-yl )carbonyl)-l-valine|N-[(5-Chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene]valine|(2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-methylbutanoic acid|N-[(5-Chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene]-L-valine
| Molecular Formula | C16H18ClNO5 |
|---|---|
| Molecular Weight | 339.08734 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.08734 |
| Monoisotopic Mass | 339.08734 |
| Heavy Atoms | 23 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 64398-35-2 |
|---|---|
| SMILES | CC1CC2=C(C=C(C=C2Cl)C(=O)N[C@@H](C(C)C)C(=O)O)C(=O)O1 |
| InChIKey | JUTZDHZSGLVCIZ-RLROJCQXSA-N |
Product Overview
AC1L48XI (CAS 64398-35-2), with molecular formula C16H18ClNO5 and molecular weight 339.08734 g/mol. IUPAC: (2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-methylbutanoic acid.