5-[[4-[[(2S)-1-oxidanylidene-3-phenyl-1-phenylmethoxy-propan-2-yl]carbamoyl]-1H-imidazol-5-yl]carbonylamino]pentylazanium

Systemtic Name: 5-[[4-[[(2S)-1-oxidanylidene-3-phenyl-1-phenylmethoxy-propan-2-yl]carbamoyl]-1H-imidazol-5-yl]carbonylamino]pentylazanium Openeye Name: 5-[[4-[[(1S)-1-benzyl-2-benzyloxy-2-oxo-ethyl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentylammonium CAS Name: 5-[[oxo-[4-[oxo-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]methyl]-1H-imidazol-5-yl]methyl]amino]pentylammonium IUPAC Name: 5-[[4-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentylazanium Traditional Name: 5-[[4-[[(1S)-2-benzoxy-1-benzyl-2-keto-ethyl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentylammonium Formula: C26H32N5O4+ MolecularWeight: 478.56338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C3=C(NC=N3)C(=O)NCCCCC[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)C3=C(NC=N3)C(=O)NCCCCC[NH3+]

InChI

InChI=1S/C26H31N5O4/c27-14-8-3-9-15-28-24(32)22-23(30-18-29-22)25(33)31-21(16-19-10-4-1-5-11-19)26(34)35-17-20-12-6-2-7-13-20/h1-2,4-7,10-13,18,21H,3,8-9,14-17,27H2,(H,28,32)(H,29,30)(H,31,33)/p+1/t21-/m0/s1