tert-butyl 4-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfonylamino]-2-[(4-phenoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfonylamino]-2-[(4-phenoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfonylamino]-2-[(4-phenoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 4-[2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]ethylsulfonylamino]-2-[oxo-(4-phenoxyanilino)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfonylamino]-2-[(4-phenoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 4-[2-[(4-nitrobenzyl)oxycarbonylamino]ethylsulfonylamino]-2-[(4-phenoxyphenyl)carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C32H37N5O10S MolecularWeight: 683.72868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)NS(=O)(=O)CCNC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)NS(=O)(=O)CCNC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C32H37N5O10S/c1-32(2,3)47-31(40)36-20-24(19-28(36)29(38)34-23-11-15-27(16-12-23)46-26-7-5-4-6-8-26)35-48(43,44)18-17-33-30(39)45-21-22-9-13-25(14-10-22)37(41)42/h4-16,24,28,35H,17-21H2,1-3H3,(H,33,39)(H,34,38)