3-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]propanoic acid CAS Name: 3-[1-[(4-tert-butylphenyl)methyl]-2-benzimidazolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[1-(4-tert-butylbenzyl)benzimidazol-2-yl]propionic acid Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H33N3O4/c1-25(2,3)18-13-11-17(12-14-18)16-29-21-10-8-7-9-19(21)27-22(29)15-20(23(30)31)28-24(32)33-26(4,5)6/h7-14,20H,15-16H2,1-6H3,(H,28,32)(H,30,31)