2-(decanoylamino)-3-oxidanyl-3-phenyl-propanoate; 4,5-dihydro-1,3-thiazol-2-ylazanium

Systemtic Name: 2-(decanoylamino)-3-oxidanyl-3-phenyl-propanoate; 4,5-dihydro-1,3-thiazol-2-ylazanium Openeye Name: 2-(decanoylamino)-3-hydroxy-3-phenyl-propanoate; 4,5-dihydrothiazol-2-ylammonium CAS Name: 4,5-dihydrothiazol-2-ylammonium; 3-hydroxy-2-(1-oxodecylamino)-3-phenylpropanoate IUPAC Name: 2-(decanoylamino)-3-hydroxy-3-phenylpropanoate; 4,5-dihydro-1,3-thiazol-2-ylazanium Traditional Name: 2-(caprylamino)-3-hydroxy-3-phenyl-propionate; 2-thiazolin-2-ylammonium Formula: C22H35N3O4S MolecularWeight: 437.596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(C(C1=CC=CC=C1)O)C(=O)[O-].C1CSC(=N1)[NH3+]

Isomeric SMILES

CCCCCCCCCC(=O)NC(C(C1=CC=CC=C1)O)C(=O)[O-].C1CSC(=N1)[NH3+]

InChI

InChI=1S/C19H29NO4.C3H6N2S/c1-2-3-4-5-6-7-11-14-16(21)20-17(19(23)24)18(22)15-12-9-8-10-13-15;4-3-5-1-2-6-3/h8-10,12-13,17-18,22H,2-7,11,14H2,1H3,(H,20,21)(H,23,24);1-2H2,(H2,4,5)