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

Systemtic Name: tert-butyl (2S)-4-methyl-2-[[5-[methyl-(phenylmethyl)carbamoyl]-1H-imidazol-4-yl]carbonylamino]pentanoate Openeye Name: tert-butyl (2S)-2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[[5-[[methyl-(phenylmethyl)amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)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/C23H32N4O4/c1-15(2)12-17(22(30)31-23(3,4)5)26-20(28)18-19(25-14-24-18)21(29)27(6)13-16-10-8-7-9-11-16/h7-11,14-15,17H,12-13H2,1-6H3,(H,24,25)(H,26,28)/t17-/m0/s1