(2-azanyl-2-oxidanylidene-ethyl) 3-(2-bromophenyl)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-(2-bromophenyl)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoate Openeye Name: (2-amino-2-oxo-ethyl) 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-(2-bromophenyl)propanoate CAS Name: 3-(2-bromophenyl)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-(2-bromophenyl)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-(2-bromophenyl)propionic acid (2-amino-2-keto-ethyl) ester Formula: C21H22BrN3O6 MolecularWeight: 492.31988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC(=O)NC(CC2=CC=CC=C2Br)C(=O)OCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC(=O)NC(CC2=CC=CC=C2Br)C(=O)OCC(=O)N

InChI

InChI=1S/C21H22BrN3O6/c22-16-9-5-4-8-15(16)10-17(20(28)30-13-18(23)26)25-19(27)11-24-21(29)31-12-14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H2,23,26)(H,24,29)(H,25,27)