(2S)-2-[3-(hexadecanoylamino)octadecanoylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[3-(hexadecanoylamino)octadecanoylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-[3-(hexadecanoylamino)octadecanoylamino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[1-oxo-3-(1-oxohexadecylamino)octadecyl]amino]propanoic acid IUPAC Name: (2S)-2-[3-(hexadecanoylamino)octadecanoylamino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-(3-palmitamidooctadecanoylamino)propionic acid Formula: C43H76N2O5 MolecularWeight: 701.07394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C43H76N2O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(36-42(48)45-40(43(49)50)35-37-31-33-39(46)34-32-37)44-41(47)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34,38,40,46H,3-30,35-36H2,1-2H3,(H,44,47)(H,45,48)(H,49,50)/t38?,40-/m0/s1