[(2S)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 6-(aminocarbonylamino)hexanoate

Systemtic Name: [(2S)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 6-(aminocarbonylamino)hexanoate Openeye Name: [(1S)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] 6-ureidohexanoate CAS Name: 6-(carbamoylamino)hexanoic acid [(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] 6-(carbamoylamino)hexanoate Traditional Name: 6-ureidohexanoic acid [(1S)-2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C16H21BrN2O4 MolecularWeight: 385.25294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)OC(=O)CCCCCNC(=O)N

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)Br)OC(=O)CCCCCNC(=O)N

InChI

InChI=1S/C16H21BrN2O4/c1-11(15(21)12-6-8-13(17)9-7-12)23-14(20)5-3-2-4-10-19-16(18)22/h6-9,11H,2-5,10H2,1H3,(H3,18,19,22)/t11-/m0/s1