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

Systemtic Name: (phenylmethyl) (2S)-2-[[5-(diethylcarbamoyl)-1H-imidazol-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: benzyl (2S)-2-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[5-[diethylamino(oxo)methyl]-1H-imidazol-4-yl]-oxomethyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(N=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)C1=C(N=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H28N4O4/c1-3-29(4-2)24(31)22-21(26-17-27-22)23(30)28-20(15-18-11-7-5-8-12-18)25(32)33-16-19-13-9-6-10-14-19/h5-14,17,20H,3-4,15-16H2,1-2H3,(H,26,27)(H,28,30)/t20-/m0/s1