2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]butanedioic acid

Systemtic Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]butanedioic acid Openeye Name: 2-[[2-(tert-butoxycarbonylamino)thiazol-4-yl]methyl]butanedioic acid CAS Name: 2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-thiazolyl]methyl]butanedioic acid IUPAC Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]butanedioic acid Traditional Name: 2-[[2-(tert-butoxycarbonylamino)thiazol-4-yl]methyl]succinic acid Formula: C13H18N2O6S MolecularWeight: 330.35682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC(=CS1)CC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC(=CS1)CC(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H18N2O6S/c1-13(2,3)21-12(20)15-11-14-8(6-22-11)4-7(10(18)19)5-9(16)17/h6-7H,4-5H2,1-3H3,(H,16,17)(H,18,19)(H,14,15,20)