4-(1-methylbenzimidazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonyl-octyl-amino]butanoic acid

Systemtic Name: 4-(1-methylbenzimidazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonyl-octyl-amino]butanoic acid Openeye Name: 2-[tert-butoxycarbonyl(octyl)amino]-4-(1-methylbenzimidazol-2-yl)butanoic acid CAS Name: 4-(1-methyl-2-benzimidazolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-octylamino]butanoic acid IUPAC Name: 4-(1-methylbenzimidazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonyl-octylamino]butanoic acid Traditional Name: 2-[tert-butoxycarbonyl(octyl)amino]-4-(1-methylbenzimidazol-2-yl)butyric acid Formula: C25H39N3O4 MolecularWeight: 445.59486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C(CCC1=NC2=CC=CC=C2N1C)C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCN(C(CCC1=NC2=CC=CC=C2N1C)C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H39N3O4/c1-6-7-8-9-10-13-18-28(24(31)32-25(2,3)4)21(23(29)30)16-17-22-26-19-14-11-12-15-20(19)27(22)5/h11-12,14-15,21H,6-10,13,16-18H2,1-5H3,(H,29,30)