methyl (2S)-2-[butyl(3-oxidanylidenebutanoyl)amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[butyl(3-oxidanylidenebutanoyl)amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[butyl(3-oxobutanoyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[butyl(1,3-dioxobutyl)amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[butyl(3-oxobutanoyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[acetoacetyl(butyl)amino]-4-methyl-valeric acid methyl ester Formula: C15H27NO4 MolecularWeight: 285.37918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(CC(C)C)C(=O)OC)C(=O)CC(=O)C

Isomeric SMILES

CCCCN([C@@H](CC(C)C)C(=O)OC)C(=O)CC(=O)C

InChI

InChI=1S/C15H27NO4/c1-6-7-8-16(14(18)10-12(4)17)13(9-11(2)3)15(19)20-5/h11,13H,6-10H2,1-5H3/t13-/m0/s1