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

Systemtic Name: tert-butyl (E)-2-[(2-ethylbutylamino)-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoate Openeye Name: tert-butyl (E)-2-[(2-ethylbutylamino)-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoate CAS Name: (E)-2-[(2-ethylbutylamino)-(4-methyl-1-oxopentyl)amino]-5-phenyl-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-[(2-ethylbutylamino)-(4-methylpentanoyl)amino]-5-phenylpent-4-enoate Traditional Name: (E)-2-[(2-ethylbutylamino)-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoic acid tert-butyl ester Formula: C27H44N2O3 MolecularWeight: 444.64986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44N2O3/c1-8-22(9-2)20-28-29(25(30)19-18-21(3)4)24(26(31)32-27(5,6)7)17-13-16-23-14-11-10-12-15-23/h10-16,21-22,24,28H,8-9,17-20H2,1-7H3/b16-13+