(2S)-3-(4-hydroxyphenyl)-2-(icosanoylamino)propanoic acid

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-(icosanoylamino)propanoic acid Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-(icosanoylamino)propanoic acid CAS Name: (2S)-3-(4-hydroxyphenyl)-2-(1-oxoeicosylamino)propanoic acid IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-(icosanoylamino)propanoic acid Traditional Name: (2S)-2-(eicosanoylamino)-3-(4-hydroxyphenyl)propionic acid Formula: C29H49NO4 MolecularWeight: 475.70366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O

InChI

InChI=1S/C29H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)30-27(29(33)34)24-25-20-22-26(31)23-21-25/h20-23,27,31H,2-19,24H2,1H3,(H,30,32)(H,33,34)/t27-/m0/s1