3-[[2-[(1S)-1-azanyl-2-methyl-propyl]-5-methyl-1-(phenylmethyl)imidazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[2-[(1S)-1-azanyl-2-methyl-propyl]-5-methyl-1-(phenylmethyl)imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[2-[(1S)-1-amino-2-methyl-propyl]-1-benzyl-5-methyl-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-[(1S)-1-amino-2-methylpropyl]-5-methyl-1-(phenylmethyl)-4-imidazolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(1S)-1-amino-2-methylpropyl]-1-benzyl-5-methylimidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-[(1S)-1-amino-2-methyl-propyl]-1-benzyl-5-methyl-imidazole-4-carbonyl]amino]benzoic acid Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1CC2=CC=CC=C2)C(C(C)C)N)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=C(N=C(N1CC2=CC=CC=C2)[C@H](C(C)C)N)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C23H26N4O3/c1-14(2)19(24)21-26-20(15(3)27(21)13-16-8-5-4-6-9-16)22(28)25-18-11-7-10-17(12-18)23(29)30/h4-12,14,19H,13,24H2,1-3H3,(H,25,28)(H,29,30)/t19-/m0/s1