(phenylmethyl) (2S)-3-phenyl-2-[(5-piperazin-4-ium-1-ylcarbonyl-1H-imidazol-4-yl)carbonylamino]propanoate

Systemtic Name: (phenylmethyl) (2S)-3-phenyl-2-[(5-piperazin-4-ium-1-ylcarbonyl-1H-imidazol-4-yl)carbonylamino]propanoate Openeye Name: benzyl (2S)-3-phenyl-2-[[5-(piperazin-4-ium-1-carbonyl)-1H-imidazole-4-carbonyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[5-[oxo(1-piperazin-4-iumyl)methyl]-1H-imidazol-4-yl]methyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-phenyl-2-[[5-(piperazin-4-ium-1-carbonyl)-1H-imidazole-4-carbonyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[5-(piperazin-4-ium-1-carbonyl)-1H-imidazole-4-carbonyl]amino]propionic acid benzyl ester Formula: C25H28N5O4+ MolecularWeight: 462.52092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=C(N=CN2)C(=O)NC(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=C(N=CN2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O4/c31-23(21-22(28-17-27-21)24(32)30-13-11-26-12-14-30)29-20(15-18-7-3-1-4-8-18)25(33)34-16-19-9-5-2-6-10-19/h1-10,17,20,26H,11-16H2,(H,27,28)(H,29,31)/p+1/t20-/m0/s1