[(2S)-1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-bromophenyl)carbonylamino]ethanoate

Systemtic Name: [(2S)-1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-bromophenyl)carbonylamino]ethanoate Openeye Name: [(1S)-2-(cyclopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-[(4-bromobenzoyl)amino]acetate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]acetic acid [(2S)-1-[[(cyclopropylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate Traditional Name: 2-[(4-bromobenzoyl)amino]acetic acid [(1S)-2-(cyclopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H18BrN3O5 MolecularWeight: 412.23522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)OC(=O)CNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1CC1)OC(=O)CNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H18BrN3O5/c1-9(14(22)20-16(24)19-12-6-7-12)25-13(21)8-18-15(23)10-2-4-11(17)5-3-10/h2-5,9,12H,6-8H2,1H3,(H,18,23)(H2,19,20,22,24)/t9-/m0/s1