2-[5-azanyl-2,4-bis(oxidanylidene)-3-(3-phenyl-1-sulfanyl-propyl)imidazolidin-1-yl]hexanoic acid

Systemtic Name: 2-[5-azanyl-2,4-bis(oxidanylidene)-3-(3-phenyl-1-sulfanyl-propyl)imidazolidin-1-yl]hexanoic acid Openeye Name: 2-[5-amino-2,4-dioxo-3-(3-phenyl-1-sulfanyl-propyl)imidazolidin-1-yl]hexanoic acid CAS Name: 2-[5-amino-3-(1-mercapto-3-phenylpropyl)-2,4-dioxo-1-imidazolidinyl]hexanoic acid IUPAC Name: 2-[5-amino-2,4-dioxo-3-(3-phenyl-1-sulfanylpropyl)imidazolidin-1-yl]hexanoic acid Traditional Name: 2-[5-amino-2,4-diketo-3-(1-mercapto-3-phenyl-propyl)imidazolidin-1-yl]hexanoic acid Formula: C18H25N3O4S MolecularWeight: 379.4738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N1C(C(=O)N(C1=O)C(CCC2=CC=CC=C2)S)N

Isomeric SMILES

CCCCC(C(=O)O)N1C(C(=O)N(C1=O)C(CCC2=CC=CC=C2)S)N

InChI

InChI=1S/C18H25N3O4S/c1-2-3-9-13(17(23)24)20-15(19)16(22)21(18(20)25)14(26)11-10-12-7-5-4-6-8-12/h4-8,13-15,26H,2-3,9-11,19H2,1H3,(H,23,24)