methyl 3-(4-hydroxyphenyl)-2-[2-(phenylmethoxycarbonylamino)pentanoylamino]propanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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