3-(4-hydroxyphenyl)-2-[2-(phenylmethoxycarbonylamino)pentanoylamino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[2-(phenylmethoxycarbonylamino)pentanoylamino]propanoic acid Openeye Name: 2-[2-(benzyloxycarbonylamino)pentanoylamino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[2-(phenylmethoxycarbonylamino)pentanoylamino]propanoic acid Traditional Name: 2-[2-(benzyloxycarbonylamino)pentanoylamino]-3-(4-hydroxyphenyl)propionic acid Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6/c1-2-6-18(24-22(29)30-14-16-7-4-3-5-8-16)20(26)23-19(21(27)28)13-15-9-11-17(25)12-10-15/h3-5,7-12,18-19,25H,2,6,13-14H2,1H3,(H,23,26)(H,24,29)(H,27,28)