methyl (2S)-2-(4-bromanylbutanoylamino)-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-(4-bromanylbutanoylamino)-3-phenyl-propanoate Openeye Name: methyl (2S)-2-(4-bromobutanoylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[(4-bromo-1-oxobutyl)amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-(4-bromobutanoylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(4-bromobutanoylamino)-3-phenyl-propionic acid methyl ester Formula: C14H18BrNO3 MolecularWeight: 328.20162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO3/c1-19-14(18)12(16-13(17)8-5-9-15)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,16,17)/t12-/m0/s1