tert-butyl (E)-2-[2-methylbutyl-(pentanoylamino)carbamoyl]oxy-5-phenyl-pent-4-enoate

Systemtic Name: tert-butyl (E)-2-[2-methylbutyl-(pentanoylamino)carbamoyl]oxy-5-phenyl-pent-4-enoate Openeye Name: tert-butyl (E)-2-[2-methylbutyl-(pentanoylamino)carbamoyl]oxy-5-phenyl-pent-4-enoate CAS Name: (E)-2-[[2-methylbutyl-(1-oxopentylamino)amino]-oxomethoxy]-5-phenyl-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-[2-methylbutyl-(pentanoylamino)carbamoyl]oxy-5-phenylpent-4-enoate Traditional Name: (E)-2-[2-methylbutyl-(valerylamino)carbamoyl]oxy-5-phenyl-pent-4-enoic acid tert-butyl ester Formula: C26H40N2O5 MolecularWeight: 460.6062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NN(CC(C)CC)C(=O)OC(CC=CC1=CC=CC=C1)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(=O)NN(CC(C)CC)C(=O)OC(C/C=C/C1=CC=CC=C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H40N2O5/c1-7-9-18-23(29)27-28(19-20(3)8-2)25(31)32-22(24(30)33-26(4,5)6)17-13-16-21-14-11-10-12-15-21/h10-16,20,22H,7-9,17-19H2,1-6H3,(H,27,29)/b16-13+