methyl 3-(2-bromophenyl)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoate

Systemtic Name: methyl 3-(2-bromophenyl)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoate Openeye Name: methyl 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-(2-bromophenyl)propanoate CAS Name: 3-(2-bromophenyl)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(2-bromophenyl)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-(2-bromophenyl)propionic acid methyl ester Formula: C20H21BrN2O5 MolecularWeight: 449.29514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1Br)NC(=O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1Br)NC(=O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H21BrN2O5/c1-27-19(25)17(11-15-9-5-6-10-16(15)21)23-18(24)12-22-20(26)28-13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3,(H,22,26)(H,23,24)