5-methyl-2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1-(phenylmethyl)imidazole-4-carboxylic acid

Systemtic Name: 5-methyl-2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1-(phenylmethyl)imidazole-4-carboxylic acid Openeye Name: 1-benzyl-2-[(1S)-1-(tert-butoxycarbonylamino)-2-methyl-propyl]-5-methyl-imidazole-4-carboxylic acid CAS Name: 5-methyl-2-[(1S)-2-methyl-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]-1-(phenylmethyl)-4-imidazolecarboxylic acid IUPAC Name: 1-benzyl-5-methyl-2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazole-4-carboxylic acid Traditional Name: 1-benzyl-2-[(1S)-1-(tert-butoxycarbonylamino)-2-methyl-propyl]-5-methyl-imidazole-4-carboxylic acid Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1CC2=CC=CC=C2)C(C(C)C)NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(N=C(N1CC2=CC=CC=C2)[C@H](C(C)C)NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C21H29N3O4/c1-13(2)16(23-20(27)28-21(4,5)6)18-22-17(19(25)26)14(3)24(18)12-15-10-8-7-9-11-15/h7-11,13,16H,12H2,1-6H3,(H,23,27)(H,25,26)/t16-/m0/s1