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

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxidanylideneoctadecanoylamino)propanoic acid Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxooctadecanoylamino)propanoic acid CAS Name: (2S)-2-(1,3-dioxooctadecylamino)-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxooctadecanoylamino)propanoic acid Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-(3-ketooctadecanoylamino)propionic acid Formula: C27H43NO5 MolecularWeight: 461.63402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(30)21-26(31)28-25(27(32)33)20-22-16-18-23(29)19-17-22/h16-19,25,29H,2-15,20-21H2,1H3,(H,28,31)(H,32,33)/t25-/m0/s1