[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-[4-(caproylamino)phenyl]-2-keto-ethyl] ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C26H32N2O5/c1-4-5-7-12-23(30)27-21-15-13-19(14-16-21)22(29)17-33-26(32)24(18(2)3)28-25(31)20-10-8-6-9-11-20/h6,8-11,13-16,18,24H,4-5,7,12,17H2,1-3H3,(H,27,30)(H,28,31)/t24-/m0/s1