methyl (2S)-2-(6-bromanylhexanoylamino)-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-(6-bromanylhexanoylamino)-3-phenyl-propanoate Openeye Name: methyl (2S)-2-(6-bromohexanoylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[(6-bromo-1-oxohexyl)amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-(6-bromohexanoylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(6-bromohexanoylamino)-3-phenyl-propionic acid methyl ester Formula: C16H22BrNO3 MolecularWeight: 356.25478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CCCCCBr

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCCCCBr

InChI

InChI=1S/C16H22BrNO3/c1-21-16(20)14(12-13-8-4-2-5-9-13)18-15(19)10-6-3-7-11-17/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H,18,19)/t14-/m0/s1