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

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxidanyldecanoylamino)propanoic acid Openeye Name: (2S)-2-(3-hydroxydecanoylamino)-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-2-[(3-hydroxy-1-oxodecyl)amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-(3-hydroxydecanoylamino)-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-(3-hydroxydecanoylamino)-3-(4-hydroxyphenyl)propionic acid Formula: C19H29NO5 MolecularWeight: 351.43726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO5/c1-2-3-4-5-6-7-16(22)13-18(23)20-17(19(24)25)12-14-8-10-15(21)11-9-14/h8-11,16-17,21-22H,2-7,12-13H2,1H3,(H,20,23)(H,24,25)/t16?,17-/m0/s1