tert-butyl 3-[[4-azanyl-2-(1-benzofuran-2-ylcarbonylamino)-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 3-[[4-azanyl-2-(1-benzofuran-2-ylcarbonylamino)-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl 3-[[4-amino-2-(benzofuran-2-carbonylamino)-4-oxo-butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate CAS Name: 3-[[4-amino-2-[[2-benzofuranyl(oxo)methyl]amino]-1,4-dioxobutyl]amino]-2-hydroxy-1-(1-oxo-4-phenylbutyl)-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-amino-2-(1-benzofuran-2-carbonylamino)-4-oxobutanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate Traditional Name: 3-[[4-amino-2-(benzofuran-2-carbonylamino)-4-keto-butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C32H38N4O8 MolecularWeight: 606.66612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(C(CCN1C(=O)CCCC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3=CC4=CC=CC=C4O3)O

Isomeric SMILES

CC(C)(C)OC(=O)C1(C(CCN1C(=O)CCCC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3=CC4=CC=CC=C4O3)O

InChI

InChI=1S/C32H38N4O8/c1-31(2,3)44-30(41)32(42)25(16-17-36(32)27(38)15-9-12-20-10-5-4-6-11-20)35-28(39)22(19-26(33)37)34-29(40)24-18-21-13-7-8-14-23(21)43-24/h4-8,10-11,13-14,18,22,25,42H,9,12,15-17,19H2,1-3H3,(H2,33,37)(H,34,40)(H,35,39)