(2S)-2-[(2R)-4-oxidanylidene-4-(prop-2-enylamino)butan-2-yl]heptanoate

Systemtic Name: (2S)-2-[(2R)-4-oxidanylidene-4-(prop-2-enylamino)butan-2-yl]heptanoate Openeye Name: (2S)-2-[(1R)-3-(allylamino)-1-methyl-3-oxo-propyl]heptanoate CAS Name: (2S)-2-[(2R)-4-oxo-4-(prop-2-enylamino)butan-2-yl]heptanoate IUPAC Name: (2S)-2-[(2R)-4-oxo-4-(prop-2-enylamino)butan-2-yl]heptanoate Traditional Name: (2S)-2-[(1R)-3-(allylamino)-3-keto-1-methyl-propyl]enanthate Formula: C14H24NO3- MolecularWeight: 254.34526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)CC(=O)NCC=C)C(=O)[O-]

Isomeric SMILES

CCCCC[C@@H]([C@H](C)CC(=O)NCC=C)C(=O)[O-]

InChI

InChI=1S/C14H25NO3/c1-4-6-7-8-12(14(17)18)11(3)10-13(16)15-9-5-2/h5,11-12H,2,4,6-10H2,1,3H3,(H,15,16)(H,17,18)/p-1/t11-,12+/m1/s1