3-[[(2S)-2-[(4-bromophenyl)carbonylamino]propanoyl]amino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[(2S)-2-[(4-bromophenyl)carbonylamino]propanoyl]amino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[(2S)-2-[(4-bromobenzoyl)amino]propanoyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[(2S)-2-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[(2S)-2-[(4-bromobenzoyl)amino]propanoyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[(2S)-2-[(4-bromobenzoyl)amino]propanoyl]amino]propyl]-methyl-ammonium Formula: C21H27BrN3O2+ MolecularWeight: 433.36198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC[NH+](C)CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C[C@@H](C(=O)NCCC[NH+](C)CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H26BrN3O2/c1-16(24-21(27)18-9-11-19(22)12-10-18)20(26)23-13-6-14-25(2)15-17-7-4-3-5-8-17/h3-5,7-12,16H,6,13-15H2,1-2H3,(H,23,26)(H,24,27)/p+1/t16-/m0/s1