methyl (2S)-2-(2-bromanylpentanoylamino)-4-phenyl-butanoate

Systemtic Name: methyl (2S)-2-(2-bromanylpentanoylamino)-4-phenyl-butanoate Openeye Name: methyl (2S)-2-(2-bromopentanoylamino)-4-phenyl-butanoate CAS Name: (2S)-2-[(2-bromo-1-oxopentyl)amino]-4-phenylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-(2-bromopentanoylamino)-4-phenylbutanoate Traditional Name: (2S)-2-(2-bromopentanoylamino)-4-phenyl-butyric acid methyl ester Formula: C16H22BrNO3 MolecularWeight: 356.25478

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CCC1=CC=CC=C1)C(=O)OC)Br

Isomeric SMILES

CCCC(C(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)OC)Br

InChI

InChI=1S/C16H22BrNO3/c1-3-7-13(17)15(19)18-14(16(20)21-2)11-10-12-8-5-4-6-9-12/h4-6,8-9,13-14H,3,7,10-11H2,1-2H3,(H,18,19)/t13?,14-/m0/s1