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

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxidanylidenetridecanoylamino)propanoic acid Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxotridecanoylamino)propanoic acid CAS Name: (2S)-2-(1,3-dioxotridecylamino)-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxotridecanoylamino)propanoic acid Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-(3-ketotridecanoylamino)propionic acid Formula: C22H33NO5 MolecularWeight: 391.50112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO5/c1-2-3-4-5-6-7-8-9-10-19(25)16-21(26)23-20(22(27)28)15-17-11-13-18(24)14-12-17/h11-14,20,24H,2-10,15-16H2,1H3,(H,23,26)(H,27,28)/t20-/m0/s1