(phenylmethyl) (2S)-2-[[5-(diethylcarbamoyl)-1H-imidazol-4-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[5-(diethylcarbamoyl)-1H-imidazol-4-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[5-[diethylamino(oxo)methyl]-1H-imidazol-4-yl]-oxomethyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-4-methyl-valeric acid benzyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(N=CN1)C(=O)NC(CC(C)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCN(CC)C(=O)C1=C(N=CN1)C(=O)N[C@@H](CC(C)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H30N4O4/c1-5-26(6-2)21(28)19-18(23-14-24-19)20(27)25-17(12-15(3)4)22(29)30-13-16-10-8-7-9-11-16/h7-11,14-15,17H,5-6,12-13H2,1-4H3,(H,23,24)(H,25,27)/t17-/m0/s1