tert-butyl (2S,3R)-5-[(1S,3R)-4-(butylamino)-3-methyl-1-oxidanyl-4-oxidanylidene-butyl]-3-methyl-2-phenyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,3R)-5-[(1S,3R)-4-(butylamino)-3-methyl-1-oxidanyl-4-oxidanylidene-butyl]-3-methyl-2-phenyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,3R)-5-[(1S,3R)-4-(butylamino)-1-hydroxy-3-methyl-4-oxo-butyl]-3-methyl-2-phenyl-pyrrolidine-1-carboxylate CAS Name: (2S,3R)-5-[(1S,3R)-4-(butylamino)-1-hydroxy-3-methyl-4-oxobutyl]-3-methyl-2-phenyl-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-5-[(1S,3R)-4-(butylamino)-1-hydroxy-3-methyl-4-oxobutyl]-3-methyl-2-phenylpyrrolidine-1-carboxylate Traditional Name: (2S,3R)-5-[(1S,3R)-4-(butylamino)-1-hydroxy-4-keto-3-methyl-butyl]-3-methyl-2-phenyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C25H40N2O4 MolecularWeight: 432.5961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C1CC(C(N1C(=O)OC(C)(C)C)C2=CC=CC=C2)C)O

Isomeric SMILES

CCCCNC(=O)[C@H](C)C[C@@H](C1C[C@H]([C@H](N1C(=O)OC(C)(C)C)C2=CC=CC=C2)C)O

InChI

InChI=1S/C25H40N2O4/c1-7-8-14-26-23(29)18(3)16-21(28)20-15-17(2)22(19-12-10-9-11-13-19)27(20)24(30)31-25(4,5)6/h9-13,17-18,20-22,28H,7-8,14-16H2,1-6H3,(H,26,29)/t17-,18-,20?,21+,22+/m1/s1