tert-butyl 2-aminocarbonyl-4-(2-azanyl-3-phenyl-propanoyl)oxy-2-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-aminocarbonyl-4-(2-azanyl-3-phenyl-propanoyl)oxy-2-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(2-amino-3-phenyl-propanoyl)oxy-2-carbamoyl-2-[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]pyrrolidine-1-carboxylate CAS Name: 4-(2-amino-1-oxo-3-phenylpropoxy)-2-carbamoyl-2-[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-amino-3-phenylpropanoyl)oxy-2-carbamoyl-2-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-carbamoyl-4-phenylalanyloxy-2-(1-tosylprolyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C31H40N4O8S MolecularWeight: 628.7363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)C3(CC(CN3C(=O)OC(C)(C)C)OC(=O)C(CC4=CC=CC=C4)N)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)C3(CC(CN3C(=O)OC(C)(C)C)OC(=O)C(CC4=CC=CC=C4)N)C(=O)N

InChI

InChI=1S/C31H40N4O8S/c1-20-12-14-23(15-13-20)44(40,41)35-16-8-11-25(35)26(36)31(28(33)38)18-22(19-34(31)29(39)43-30(2,3)4)42-27(37)24(32)17-21-9-6-5-7-10-21/h5-7,9-10,12-15,22,24-25H,8,11,16-19,32H2,1-4H3,(H2,33,38)