tert-butyl 2-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-1-methyl-4-(4-nitrophenyl)piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 2-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-1-methyl-4-(4-nitrophenyl)piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 2-[2-amino-3-(4-hydroxyphenyl)propanoyl]-1-methyl-4-(4-nitrophenyl)piperazin-1-ium-1-carboxylate CAS Name: 2-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-1-methyl-4-(4-nitrophenyl)-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-amino-3-(4-hydroxyphenyl)propanoyl]-1-methyl-4-(4-nitrophenyl)piperazin-1-ium-1-carboxylate Traditional Name: 1-methyl-4-(4-nitrophenyl)-2-tyrosyl-piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C25H33N4O6+ MolecularWeight: 485.55272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCN(CC1C(=O)C(CC2=CC=C(C=C2)O)N)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCN(CC1C(=O)C(CC2=CC=C(C=C2)O)N)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C25H32N4O6/c1-25(2,3)35-24(32)29(4)14-13-27(18-7-9-19(10-8-18)28(33)34)16-22(29)23(31)21(26)15-17-5-11-20(30)12-6-17/h5-12,21-22H,13-16,26H2,1-4H3/p+1