3-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]propanoic acid

Systemtic Name: 3-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]propanoic acid Openeye Name: 3-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[cyclohexylmethyl(2-thienylmethyl)amino]propanoic acid CAS Name: 3-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]propanoic acid IUPAC Name: 3-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]propanoic acid Traditional Name: 3-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[cyclohexylmethyl(2-thenyl)amino]propionic acid Formula: C26H34N2O3S MolecularWeight: 454.62476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(O1)C=CC(=C2)CC(C(=O)O)N(CC3CCCCC3)CC4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=NC2=C(O1)C=CC(=C2)CC(C(=O)O)N(CC3CCCCC3)CC4=CC=CS4

InChI

InChI=1S/C26H34N2O3S/c1-26(2,3)25-27-21-14-19(11-12-23(21)31-25)15-22(24(29)30)28(17-20-10-7-13-32-20)16-18-8-5-4-6-9-18/h7,10-14,18,22H,4-6,8-9,15-17H2,1-3H3,(H,29,30)