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

Systemtic Name: tert-butyl (E)-2-[4-methylpentanoyl-(5-oxidanylpentylamino)amino]-5-phenyl-pent-4-enoate Openeye Name: tert-butyl (E)-2-[(5-hydroxypentylamino)-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoate CAS Name: (E)-2-[(5-hydroxypentylamino)-(4-methyl-1-oxopentyl)amino]-5-phenyl-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-[(5-hydroxypentylamino)-(4-methylpentanoyl)amino]-5-phenylpent-4-enoate Traditional Name: (E)-2-[(5-hydroxypentylamino)-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoic acid tert-butyl ester Formula: C26H42N2O4 MolecularWeight: 446.62268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42N2O4/c1-21(2)17-18-24(30)28(27-19-10-7-11-20-29)23(25(31)32-26(3,4)5)16-12-15-22-13-8-6-9-14-22/h6,8-9,12-15,21,23,27,29H,7,10-11,16-20H2,1-5H3/b15-12+