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

Systemtic Name: tert-butyl (2S)-2-[[5-[methyl-(phenylmethyl)carbamoyl]-1H-imidazol-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[5-[[methyl-(phenylmethyl)amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C26H30N4O4/c1-26(2,3)34-25(33)20(15-18-11-7-5-8-12-18)29-23(31)21-22(28-17-27-21)24(32)30(4)16-19-13-9-6-10-14-19/h5-14,17,20H,15-16H2,1-4H3,(H,27,28)(H,29,31)/t20-/m0/s1