3-(4-hydroxyphenyl)-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O6/c1-15(2)12-19(25-23(30)31-14-17-6-4-3-5-7-17)21(27)24-20(22(28)29)13-16-8-10-18(26)11-9-16/h3-11,15,19-20,26H,12-14H2,1-2H3,(H,24,27)(H,25,30)(H,28,29)