2-azanyl-3-(4-hydroxyphenyl)propanoic acid; O1-tert-butyl O2-methyl 4-sulfanylidenepyrrolidine-1,2-dicarboxylate

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; O1-tert-butyl O2-methyl 4-sulfanylidenepyrrolidine-1,2-dicarboxylate Openeye Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; O1-tert-butyl O2-methyl 4-thioxopyrrolidine-1,2-dicarboxylate CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 4-sulfanylidenepyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 1-O-tert-butyl 2-O-methyl 4-sulfanylidenepyrrolidine-1,2-dicarboxylate Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid; 4-thioxopyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C20H28N2O7S MolecularWeight: 440.51052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=S)CC1C(=O)OC.C1=CC(=CC=C1CC(C(=O)O)N)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=S)CC1C(=O)OC.C1=CC(=CC=C1CC(C(=O)O)N)O

InChI

InChI=1S/C11H17NO4S.C9H11NO3/c1-11(2,3)16-10(14)12-6-7(17)5-8(12)9(13)15-4;10-8(9(12)13)5-6-1-3-7(11)4-2-6/h8H,5-6H2,1-4H3;1-4,8,11H,5,10H2,(H,12,13)