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

Systemtic Name: methyl 3-(4-hydroxyphenyl)-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]propanoate Openeye Name: methyl 2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 3-(4-hydroxyphenyl)-2-[[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-hydroxyphenyl)-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoate Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O7/c1-31-21(29)18(11-15-7-9-17(26)10-8-15)25-20(28)13-23-19(27)12-24-22(30)32-14-16-5-3-2-4-6-16/h2-10,18,26H,11-14H2,1H3,(H,23,27)(H,24,30)(H,25,28)