L-a-Asparagine,N-acetyl-L-a-aspartyl-L-a-glutamyl-L-valyl-N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]-

Catalog Number

ACM201608142

Product Name

L-a-Asparagine,N-acetyl-L-a-aspartyl-L-a-glutamyl-L-valyl-N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]-

Structure

CAS

201608-14-2

Category

Heterocyclic Organic Compound

Synonyms

CID644234, Ac-Asp-Glu-Val-Asp-7-amino-4-trifluoromethylcoumarin, Ac-Asp-Glu-Val-Asp-AFC (AFC = 7-Amino-4-trifluoromethylcoumarin), 201608-14-2, L-alpha-asparagine, N-acetyl-L-alpha-aspartyl-L-alpha-glutamyl-L-valyl-N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]-, L-alpha-Asparagine, N-acetyl-L-alpha-aspartyl-L-alpha-glutamyl-L-valyl-N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]- (9CI)

IUPAC Name

(4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S)-4-hydroxy-1,4-dioxo-1-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]butan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Molecular Weight

729.6119

Molecular Formula

C₃₀H₃₄F₃N₅O₁₃

Canonical SMILES

CC(C)C(C(=O)NC(CC(=O)O)C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C

InChI Key

GZDRODOYEFEHGG-NUDCOPPTSA-N

Boiling Point

1152.7ºC at 760 mmHg

Flash Point

650.9ºC

Density

1.495 g/cm³

Appearance

white powder

Exact Mass

729.21100

H-Bond Acceptor

16

H-Bond Donor

8

MSDS

COA

Spec Sheet