N-[(Phenylmethoxy)carbonyl]-L-valyl-N-[3-fluoro-1-(2-methoxy-2-oxoethyl)-2-oxopropyl]-L-alaninamide

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Analyte Name

N-[(Phenylmethoxy)carbonyl]-L-valyl-N-[3-fluoro-1-(2-methoxy-2-oxoethyl)-2-oxopropyl]-L-alaninamide

CAS Number

634911-81-2

Molecular Formula

C21 H28 F N3 O7

Molecular Weight

453.461

Accurate Mass

453.191

SMILES

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CF

InChI

InChI=1S/C21H28FN3O7/c1-12(2)18(25-21(31)32-11-14-7-5-4-6-8-14)20(30)23-13(3)19(29)24-15(9-17(27)28)16(26)10-22/h4-8,12-13,15,18H,9-11H2,1-3H3,(H,23,30)(H,24,29)(H,25,31)(H,27,28)/t13-,15-,18-/m0/s1

IUPAC

(3S)-5-fluoro-3-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxopentanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat