tert-butyl (E)-2-[4-methylpentanoyl-(2-methylpropylamino)amino]-5-pyridin-3-yl-pent-4-enoate

Systemtic Name: tert-butyl (E)-2-[4-methylpentanoyl-(2-methylpropylamino)amino]-5-pyridin-3-yl-pent-4-enoate Openeye Name: tert-butyl (E)-2-[(isobutylamino)-(4-methylpentanoyl)amino]-5-(3-pyridyl)pent-4-enoate CAS Name: (E)-2-[(4-methyl-1-oxopentyl)-(2-methylpropylamino)amino]-5-(3-pyridinyl)-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-[4-methylpentanoyl-(2-methylpropylamino)amino]-5-pyridin-3-ylpent-4-enoate Traditional Name: (E)-2-[(isobutylamino)-(4-methylpentanoyl)amino]-5-(3-pyridyl)pent-4-enoic acid tert-butyl ester Formula: C24H39N3O3 MolecularWeight: 417.58476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39N3O3/c1-18(2)13-14-22(28)27(26-16-19(3)4)21(23(29)30-24(5,6)7)12-8-10-20-11-9-15-25-17-20/h8-11,15,17-19,21,26H,12-14,16H2,1-7H3/b10-8+