3-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]propanoic acid Openeye Name: 2-[2-(tert-butoxycarbonylamino)hexylamino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexylamino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]propanoic acid Traditional Name: 2-[2-(tert-butoxycarbonylamino)hexylamino]-3-(4-hydroxyphenyl)propionic acid Formula: C20H32N2O5 MolecularWeight: 380.47848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CNC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(CNC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H32N2O5/c1-5-6-7-15(22-19(26)27-20(2,3)4)13-21-17(18(24)25)12-14-8-10-16(23)11-9-14/h8-11,15,17,21,23H,5-7,12-13H2,1-4H3,(H,22,26)(H,24,25)