2-azanyl-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-1,2-dihydroimidazol-4-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-1,2-dihydroimidazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-1,2-dihydroimidazol-4-yl]propanoic acid CAS Name: 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-(propylthio)-1,2-dihydroimidazol-4-yl]propanoic acid IUPAC Name: 2-amino-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-1,2-dihydroimidazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[3-(2-chlorobenzyl)-2-(propylthio)-4-imidazolin-4-yl]propionic acid Formula: C16H22ClN3O2S MolecularWeight: 355.88278

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1NC=C(N1CC2=CC=CC=C2Cl)CC(C(=O)O)N

Isomeric SMILES

CCCSC1NC=C(N1CC2=CC=CC=C2Cl)CC(C(=O)O)N

InChI

InChI=1S/C16H22ClN3O2S/c1-2-7-23-16-19-9-12(8-14(18)15(21)22)20(16)10-11-5-3-4-6-13(11)17/h3-6,9,14,16,19H,2,7-8,10,18H2,1H3,(H,21,22)