4,6-dimethyl-1H-pyrimidine-2-thione; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 4,6-dimethyl-1H-pyrimidine-2-thione; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-phenyl-propanoic acid; 4,6-dimethyl-1H-pyrimidine-2-thione CAS Name: 4,6-dimethyl-1H-pyrimidine-2-thione; 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 4,6-dimethyl-1H-pyrimidine-2-thione; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid; 4,6-dimethyl-1H-pyrimidine-2-thione Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=S)N1)C.CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC1=CC(=NC(=S)N1)C.CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H19NO4.C6H8N2S/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;1-4-3-5(2)8-6(9)7-4/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17);3H,1-2H3,(H,7,8,9)