3-[[1-(3-methylbutanoyl)pyrrolidin-2-yl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[[1-(3-methylbutanoyl)pyrrolidin-2-yl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[[1-(3-methylbutanoyl)pyrrolidin-2-yl]methylsulfanyl]propanoic acid CAS Name: 3-[[1-(3-methyl-1-oxobutyl)-2-pyrrolidinyl]methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-(3-methylbutanoyl)pyrrolidin-2-yl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[(1-isovalerylpyrrolidin-2-yl)methylthio]propionic acid Formula: C18H32N2O5S MolecularWeight: 388.52208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCCC1CSCC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(=O)N1CCCC1CSCC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H32N2O5S/c1-12(2)9-15(21)20-8-6-7-13(20)10-26-11-14(16(22)23)19-17(24)25-18(3,4)5/h12-14H,6-11H2,1-5H3,(H,19,24)(H,22,23)