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

Systemtic Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]ethanoic acid Openeye Name: 2-[[2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]acetic acid CAS Name: 2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]acetic acid IUPAC Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]acetic acid Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-4-(methylthio)butanoyl]amino]acetic acid Formula: C12H22N2O5S MolecularWeight: 306.37848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)NCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC)C(=O)NCC(=O)O

InChI

InChI=1S/C12H22N2O5S/c1-12(2,3)19-11(18)14-8(5-6-20-4)10(17)13-7-9(15)16/h8H,5-7H2,1-4H3,(H,13,17)(H,14,18)(H,15,16)