(phenylmethyl) (2S)-2-[[5-(4-phenylpiperazin-1-yl)carbonyl-1H-imidazol-4-yl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[5-(4-phenylpiperazin-1-yl)carbonyl-1H-imidazol-4-yl]carbonylamino]propanoate Openeye Name: benzyl (2S)-2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[5-[oxo-(4-phenyl-1-piperazinyl)methyl]-1H-imidazol-4-yl]methyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]propionic acid benzyl ester Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N5O4/c1-18(25(33)34-16-19-8-4-2-5-9-19)28-23(31)21-22(27-17-26-21)24(32)30-14-12-29(13-15-30)20-10-6-3-7-11-20/h2-11,17-18H,12-16H2,1H3,(H,26,27)(H,28,31)/t18-/m0/s1