MA-VAL-ALA-PAB-OH

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Description: MA-VAL-ALA-PAB-OH is a usefully ACD-linker, which was reported in JACS 2020, 142, pp12890-12895.

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Chemical Structure

Theoretical Analysis

MedKoo Cat#: 555889
Name: MA-VAL-ALA-PAB-OH
CAS#: Unknown
Chemical Formula: C21H26N4O6
Exact Mass: 430.1852
Molecular Weight: 430.461
Elemental Analysis: C, 58.60; H, 6.09; N, 13.02; O, 22.30

Synonym: MA-VAL-ALA-PAB-OH

IUPAC/Chemical Name: (S)-2-(2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamido)-N-((S)-1-((4-(hydroxymethyl)phenyl)amino)-1-oxopropan-2-yl)-3-methylbutanamide

InChi Key: KAOLHOUBBLHAKZ-DJJJIMSYSA-N

InChi Code: InChI=1S/C21H26N4O6/c1-12(2)19(24-16(27)10-25-17(28)8-9-18(25)29)21(31)22-13(3)20(30)23-15-6-4-14(11-26)5-7-15/h4-9,12-13,19,26H,10-11H2,1-3H3,(H,22,31)(H,23,30)(H,24,27)/t13-,19-/m0/s1

SMILES Code: O=C(C=CC1=O)N1CC(N[C@@H](C(C)C)C(N[C@@H](C)C(NC2=CC=C(CO)C=C2)=O)=O)=O

Technical Data