N-[1-(3-bromophenyl)ethyl]-2-[(4-carbamimidoylphenyl)carbamoylamino]pentanediamide

Systemtic Name: N-[1-(3-bromophenyl)ethyl]-2-[(4-carbamimidoylphenyl)carbamoylamino]pentanediamide Openeye Name: N-[1-(3-bromophenyl)ethyl]-2-[(4-carbamimidoylphenyl)carbamoylamino]pentanediamide CAS Name: N-[1-(3-bromophenyl)ethyl]-2-[[(4-carbamimidoylanilino)-oxomethyl]amino]pentanediamide IUPAC Name: N-[1-(3-bromophenyl)ethyl]-2-[(4-carbamimidoylphenyl)carbamoylamino]pentanediamide Traditional Name: 2-[(4-amidinophenyl)carbamoylamino]-N-[1-(3-bromophenyl)ethyl]glutaramide Formula: C21H25BrN6O3 MolecularWeight: 489.3656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Br)NC(=O)C(CCC(=O)N)NC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C1=CC(=CC=C1)Br)NC(=O)C(CCC(=O)N)NC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H25BrN6O3/c1-12(14-3-2-4-15(22)11-14)26-20(30)17(9-10-18(23)29)28-21(31)27-16-7-5-13(6-8-16)19(24)25/h2-8,11-12,17H,9-10H2,1H3,(H2,23,29)(H3,24,25)(H,26,30)(H2,27,28,31)