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

Systemtic Name: tert-butyl (E)-2-[4-methylpentanoyl-(2-methylpropylamino)amino]-5-phenyl-pent-4-enoate Openeye Name: tert-butyl (E)-2-[(isobutylamino)-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoate CAS Name: (E)-2-[(4-methyl-1-oxopentyl)-(2-methylpropylamino)amino]-5-phenyl-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-[4-methylpentanoyl-(2-methylpropylamino)amino]-5-phenylpent-4-enoate Traditional Name: (E)-2-[(isobutylamino)-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoic acid tert-butyl ester Formula: C25H40N2O3 MolecularWeight: 416.5967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(C(CC=CC1=CC=CC=C1)C(=O)OC(C)(C)C)NCC(C)C

Isomeric SMILES

CC(C)CCC(=O)N(C(C/C=C/C1=CC=CC=C1)C(=O)OC(C)(C)C)NCC(C)C

InChI

InChI=1S/C25H40N2O3/c1-19(2)16-17-23(28)27(26-18-20(3)4)22(24(29)30-25(5,6)7)15-11-14-21-12-9-8-10-13-21/h8-14,19-20,22,26H,15-18H2,1-7H3/b14-11+