Products 1435786-01-8

CAS 1435786-01-8 appears in our catalog under these names: (3S)-5-(2,6-Difluorophenoxy)-3-([(2S)-3-methyl-2-[(2-quinolinylcarbonyl)amino]butanoyl]amino)-4-oxopentanoic acid hydrate, Q-VD-OPh hydrate >= 95 % HPLC. Offered by: Chemat, Sigma-Aldrich. Available pack sizes: 1mg, 5mg.

Structural formula: {0} (CAS {1})

(3S)-5-(2,6-difluorophenoxy)-3-[[(2S)-3-methyl-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-oxopentanoic acid;hydrate (CAS 1435786-01-8) is a chemical compound with the molecular formula C26H27F2N3O7 and a molecular weight of 531.5 g/mol. IUPAC name: (3S)-5-(2,6-difluorophenoxy)-3-[[(2S)-3-methyl-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-oxopentanoic acid;hydrate. InChIKey: ONOTWLLTFZMERH-WCRWPNQISA-N.

Identity
Molecular formulaC26H27F2N3O7
Molecular weight531.5 g/mol
IUPAC name(3S)-5-(2,6-difluorophenoxy)-3-[[(2S)-3-methyl-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-oxopentanoic acid;hydrate
InChIKeyONOTWLLTFZMERH-WCRWPNQISA-N
SMILESCC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)COC1=C(C=CC=C1F)F)NC(=O)C2=NC3=CC=CC=C3C=C2.O

Computed by PubChem (NCBI)