(2S)-5-azanyl-2-[[3-(4-bromophenyl)-3-oxidanylidene-propyl]azaniumyl]-5-oxidanylidene-pentanoate

Systemtic Name: (2S)-5-azanyl-2-[[3-(4-bromophenyl)-3-oxidanylidene-propyl]azaniumyl]-5-oxidanylidene-pentanoate Openeye Name: (2S)-5-amino-2-[[3-(4-bromophenyl)-3-oxo-propyl]ammonio]-5-oxo-pentanoate CAS Name: (2S)-5-amino-2-[[3-(4-bromophenyl)-3-oxopropyl]ammonio]-5-oxopentanoate IUPAC Name: (2S)-5-amino-2-[[3-(4-bromophenyl)-3-oxopropyl]azaniumyl]-5-oxopentanoate Traditional Name: (2S)-5-amino-2-[[3-(4-bromophenyl)-3-keto-propyl]ammonio]-5-keto-valerate Formula: C14H17BrN2O4 MolecularWeight: 357.19978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC[NH2+]C(CCC(=O)N)C(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CC[NH2+][C@@H](CCC(=O)N)C(=O)[O-])Br

InChI

InChI=1S/C14H17BrN2O4/c15-10-3-1-9(2-4-10)12(18)7-8-17-11(14(20)21)5-6-13(16)19/h1-4,11,17H,5-8H2,(H2,16,19)(H,20,21)/t11-/m0/s1