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

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxidanylidenedodecanoylamino)propanoic acid Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxododecanoylamino)propanoic acid CAS Name: (2S)-2-(1,3-dioxododecylamino)-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxododecanoylamino)propanoic acid Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-(3-ketododecanoylamino)propionic acid Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO5/c1-2-3-4-5-6-7-8-9-18(24)15-20(25)22-19(21(26)27)14-16-10-12-17(23)13-11-16/h10-13,19,23H,2-9,14-15H2,1H3,(H,22,25)(H,26,27)/t19-/m0/s1