3-(4-bromanyl-2-methyl-phenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(4-bromanyl-2-methyl-phenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(4-bromo-2-methyl-phenyl)sulfanyl-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-[(4-bromo-2-methylphenyl)thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-bromo-2-methylphenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-[(4-bromo-2-methyl-phenyl)thio]-2-(tert-butoxycarbonylamino)propionic acid Formula: C15H20BrNO4S MolecularWeight: 390.2926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C15H20BrNO4S/c1-9-7-10(16)5-6-12(9)22-8-11(13(18)19)17-14(20)21-15(2,3)4/h5-7,11H,8H2,1-4H3,(H,17,20)(H,18,19)