(2S)-5-(aminocarbonylamino)-2-azanyl-N-(4-nitrophenyl)pentanamide hydrobromide

Systemtic Name: (2S)-5-(aminocarbonylamino)-2-azanyl-N-(4-nitrophenyl)pentanamide hydrobromide Openeye Name: (2S)-2-amino-N-(4-nitrophenyl)-5-ureido-pentanamide hydrobromide CAS Name: (2S)-2-amino-5-(carbamoylamino)-N-(4-nitrophenyl)pentanamide hydrobromide IUPAC Name: (2S)-2-amino-5-(carbamoylamino)-N-(4-nitrophenyl)pentanamide hydrobromide Traditional Name: (2S)-2-amino-N-(4-nitrophenyl)-5-ureido-valeramide hydrobromide Formula: C12H18BrN5O4 MolecularWeight: 376.20642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(CCCNC(=O)N)N)[N+](=O)[O-].Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)[C@H](CCCNC(=O)N)N)[N+](=O)[O-].Br

InChI

InChI=1S/C12H17N5O4.BrH/c13-10(2-1-7-15-12(14)19)11(18)16-8-3-5-9(6-4-8)17(20)21;/h3-6,10H,1-2,7,13H2,(H,16,18)(H3,14,15,19);1H/t10-;/m0./s1