methyl (2S)-2-[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[(5-bromo-2-furoyl)amino]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C17H17BrN2O5 MolecularWeight: 409.23128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC=C(O2)Br

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C17H17BrN2O5/c1-24-17(23)12(9-11-5-3-2-4-6-11)20-15(21)10-19-16(22)13-7-8-14(18)25-13/h2-8,12H,9-10H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1