tert-butyl (2S)-2-[[5-[methyl-(phenylmethyl)carbamoyl]-1H-imidazol-4-yl]carbonylamino]propanoate

Systemtic Name: tert-butyl (2S)-2-[[5-[methyl-(phenylmethyl)carbamoyl]-1H-imidazol-4-yl]carbonylamino]propanoate Openeye Name: tert-butyl (2S)-2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[5-[[methyl-(phenylmethyl)amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]propionic acid tert-butyl ester Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)N(C)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C20H26N4O4/c1-13(19(27)28-20(2,3)4)23-17(25)15-16(22-12-21-15)18(26)24(5)11-14-9-7-6-8-10-14/h6-10,12-13H,11H2,1-5H3,(H,21,22)(H,23,25)/t13-/m0/s1