AC1NQ1HK structure

AC1NQ1HK

5-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]methyl]-1,3-dioxan-2-yl]anilino]-5-oxopentanoic acid

Also Known As: DIOX2_025983|5-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]methyl]-1,3-dioxan-2-yl]anilino]-5-oxopentanoic acid|5-[4-(4-{[2-(tert-Butoxycarbonyl)pyrrolidin-1-yl]methyl}-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl)anilino]-5-oxopentanoic acid

CAS: 6098-77-7
Molecular Formula C32H42N2O8
Molecular Weight 582.2941 g/mol
LogP 4.7238
Topological Polar Surface Area 134.63 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 8
Rotatable Bonds 11
Exact Mass 582.2941
Monoisotopic Mass 582.2941
Heavy Atoms 42
Complexity 1208.5166

Chemical Identifiers

CAS Number 6098-77-7
SMILES CC(C)(C)OC(=O)C1CCCN1CC2CC(OC(O2)C3=CC=C(C=C3)NC(=O)CCCC(=O)O)C4=CC=C(C=C4)CO

Product Overview

AC1NQ1HK (CAS 6098-77-7), with molecular formula C32H42N2O8 and molecular weight 582.2941 g/mol. IUPAC: 5-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]methyl]-1,3-dioxan-2-yl]anilino]-5-oxopentanoic acid.

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