cyanomethyl (2S)-3-methyl-2-(pent-4-enoylamino)butanoate

Systemtic Name: cyanomethyl (2S)-3-methyl-2-(pent-4-enoylamino)butanoate Openeye Name: cyanomethyl (2S)-3-methyl-2-(pent-4-enoylamino)butanoate CAS Name: (2S)-3-methyl-2-(1-oxopent-4-enylamino)butanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-3-methyl-2-(pent-4-enoylamino)butanoate Traditional Name: (2S)-3-methyl-2-(pent-4-enoylamino)butyric acid cyanomethyl ester Formula: C12H18N2O3 MolecularWeight: 239.275575

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC#N)NC(=O)CCC=C

Isomeric SMILES

CC(C)[C@@H]([13C](=O)OCC#N)NC(=O)CCC=C

InChI

InChI=1S/C12H18N2O3/c1-4-5-6-10(15)14-11(9(2)3)12(16)17-8-7-13/h4,9,11H,1,5-6,8H2,2-3H3,(H,14,15)/t11-/m0/s1/i12+1