2-[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]oxymethyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]oxymethyl]phenyl]ethanoic acid Openeye Name: 2-[4-[[2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]oxymethyl]phenyl]acetic acid CAS Name: 2-[4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutoxy]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]oxymethyl]phenyl]acetic acid Traditional Name: 2-[4-[[2-(tert-butoxycarbonylamino)-4-(methylthio)butanoyl]oxymethyl]phenyl]acetic acid Formula: C19H27NO6S MolecularWeight: 397.48578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)OCC1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC)C(=O)OCC1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C19H27NO6S/c1-19(2,3)26-18(24)20-15(9-10-27-4)17(23)25-12-14-7-5-13(6-8-14)11-16(21)22/h5-8,15H,9-12H2,1-4H3,(H,20,24)(H,21,22)