2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-methyl-amino]hexanoic acid

Systemtic Name: 2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-methyl-amino]hexanoic acid Openeye Name: 2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]-methyl-amino]hexanoic acid CAS Name: 2-[[3-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-methylamino]hexanoic acid IUPAC Name: 2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-methylamino]hexanoic acid Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]-methyl-amino]hexanoic acid Formula: C21H32N2O6 MolecularWeight: 408.48858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O6/c1-6-7-8-17(19(26)27)23(5)18(25)16(22-20(28)29-21(2,3)4)13-14-9-11-15(24)12-10-14/h9-12,16-17,24H,6-8,13H2,1-5H3,(H,22,28)(H,26,27)