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

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-(tridecanoylamino)propanoic acid Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-(tridecanoylamino)propanoic acid CAS Name: (2S)-3-(4-hydroxyphenyl)-2-(1-oxotridecylamino)propanoic acid IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-(tridecanoylamino)propanoic acid Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-(tridecanoylamino)propionic acid Formula: C22H35NO4 MolecularWeight: 377.5176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-21(25)23-20(22(26)27)17-18-13-15-19(24)16-14-18/h13-16,20,24H,2-12,17H2,1H3,(H,23,25)(H,26,27)/t20-/m0/s1