Products 2799658-44-7

CAS 2799658-44-7 is the registry number for BACE1-IN-10. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

(4S)-4-amino-5-[[(2S,3S)-1-[[(2S)-1-[[(2R,3S)-1-[4-(carboxymethyl)anilino]-2-hydroxy-5-methylhexan-3-yl]amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid (CAS 2799658-44-7) is a chemical compound with the molecular formula C33H49N5O8S and a molecular weight of 675.8 g/mol. IUPAC name: (4S)-4-amino-5-[[(2S,3S)-1-[[(2S)-1-[[(2R,3S)-1-[4-(carboxymethyl)anilino]-2-hydroxy-5-methylhexan-3-yl]amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid. InChIKey: OQWGJQLSGPHRFH-HARCJINFSA-N.

Identity
Molecular formulaC33H49N5O8S
Molecular weight675.8 g/mol
IUPAC name(4S)-4-amino-5-[[(2S,3S)-1-[[(2S)-1-[[(2R,3S)-1-[4-(carboxymethyl)anilino]-2-hydroxy-5-methylhexan-3-yl]amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
InChIKeyOQWGJQLSGPHRFH-HARCJINFSA-N
SMILESCC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CS1)C(=O)N[C@@H](CC(C)C)[C@@H](CNC2=CC=C(C=C2)CC(=O)O)O)NC(=O)[C@H](CCC(=O)O)N

Computed by PubChem (NCBI)

Synonyms: orb1744451