99590-26-8 Purity
96%
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Specification
The molecular formula is C27H32N4O6.
The molecular weight is 508.6 g/mol.
AC-ALA-ALA-TYR-AMC was created on February 16, 2015.
AC-ALA-ALA-TYR-AMC was last modified on December 30, 2023.
The IUPAC name is (2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)-N-(4-methyl-2H-chromen-7-yl)propanamide.
The InChI is InChI=1S/C27H32N4O6/c1-15-11-12-37-24-14-20(7-10-22(15)24)30-27(36)23(13-19-5-8-21(33)9-6-19)31-26(35)17(3)29-25(34)16(2)28-18(4)32/h5-11,14,16-17,23,33H,12-13H2,1-4H3,(H,28,32)(H,29,34)(H,30,36)(H,31,35)/t16-,17-,23-/m0/s1.
The InChIKey is VZNGGRNDYFVBNG-QQMNAOGKSA-N.
The canonical SMILES is CC1=CCOC2=C1C=CC(=C2)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(C)NC(=O)C.
The XLogP3-AA value is 1.8.
AC-ALA-ALA-TYR-AMC has 5 hydrogen bond donor counts.