tert-butyl (E)-2-[3-cyclobutylpropanoyl-(2-methylpropylamino)amino]-5-phenyl-pent-4-enoate

Systemtic Name: tert-butyl (E)-2-[3-cyclobutylpropanoyl-(2-methylpropylamino)amino]-5-phenyl-pent-4-enoate Openeye Name: tert-butyl (E)-2-[3-cyclobutylpropanoyl-(isobutylamino)amino]-5-phenyl-pent-4-enoate CAS Name: (E)-2-[(3-cyclobutyl-1-oxopropyl)-(2-methylpropylamino)amino]-5-phenyl-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-[3-cyclobutylpropanoyl-(2-methylpropylamino)amino]-5-phenylpent-4-enoate Traditional Name: (E)-2-[3-cyclobutylpropanoyl-(isobutylamino)amino]-5-phenyl-pent-4-enoic acid tert-butyl ester Formula: C26H40N2O3 MolecularWeight: 428.6074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNN(C(CC=CC1=CC=CC=C1)C(=O)OC(C)(C)C)C(=O)CCC2CCC2

Isomeric SMILES

CC(C)CNN(C(C/C=C/C1=CC=CC=C1)C(=O)OC(C)(C)C)C(=O)CCC2CCC2

InChI

InChI=1S/C26H40N2O3/c1-20(2)19-27-28(24(29)18-17-22-13-9-14-22)23(25(30)31-26(3,4)5)16-10-15-21-11-7-6-8-12-21/h6-8,10-12,15,20,22-23,27H,9,13-14,16-19H2,1-5H3/b15-10+