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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6/c1-3-15(2)20(25-23(30)31-14-17-7-5-4-6-8-17)21(27)24-19(22(28)29)13-16-9-11-18(26)12-10-16/h4-12,15,19-20,26H,3,13-14H2,1-2H3,(H,24,27)(H,25,30)(H,28,29)