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

Systemtic Name: tert-butyl (2S)-2-[[5-(diethylcarbamoyl)-1H-imidazol-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl (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 tert-butyl ester IUPAC Name: tert-butyl (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 tert-butyl 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(CC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4/c1-6-26(7-2)20(28)18-17(23-14-24-18)19(27)25-16(21(29)30-22(3,4)5)13-15-11-9-8-10-12-15/h8-12,14,16H,6-7,13H2,1-5H3,(H,23,24)(H,25,27)/t16-/m0/s1