ethyl (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-1-nonanoylpyrrolidin-2-yl]carbonylamino]propanoate

Systemtic Name: ethyl (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-1-nonanoylpyrrolidin-2-yl]carbonylamino]propanoate Openeye Name: ethyl (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-1-nonanoylpyrrolidine-2-carbonyl]amino]propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[oxo-[(2S)-1-(1-oxononyl)-2-pyrrolidinyl]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-1-nonanoylpyrrolidine-2-carbonyl]amino]propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-1-pelargonylprolyl]amino]propionic acid ethyl ester Formula: C25H38N2O5 MolecularWeight: 446.57962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)N1CCCC1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)OCC

Isomeric SMILES

CCCCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)OCC

InChI

InChI=1S/C25H38N2O5/c1-3-5-6-7-8-9-12-23(29)27-17-10-11-22(27)24(30)26-21(25(31)32-4-2)18-19-13-15-20(28)16-14-19/h13-16,21-22,28H,3-12,17-18H2,1-2H3,(H,26,30)/t21-,22-/m0/s1