heptyl (2S)-3-methyl-2-(prop-2-enoxycarbonylamino)pentanoate

Systemtic Name: heptyl (2S)-3-methyl-2-(prop-2-enoxycarbonylamino)pentanoate Openeye Name: heptyl (2S)-2-(allyloxycarbonylamino)-3-methyl-pentanoate CAS Name: (2S)-3-methyl-2-[[oxo(prop-2-enoxy)methyl]amino]pentanoic acid heptyl ester IUPAC Name: heptyl (2S)-3-methyl-2-(prop-2-enoxycarbonylamino)pentanoate Traditional Name: (2S)-2-(allyloxycarbonylamino)-3-methyl-valeric acid heptyl ester Formula: C17H31NO4 MolecularWeight: 313.43234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C(C(C)CC)NC(=O)OCC=C

Isomeric SMILES

CCCCCCCOC(=O)[C@H](C(C)CC)NC(=O)OCC=C

InChI

InChI=1S/C17H31NO4/c1-5-8-9-10-11-13-21-16(19)15(14(4)7-3)18-17(20)22-12-6-2/h6,14-15H,2,5,7-13H2,1,3-4H3,(H,18,20)/t14?,15-/m0/s1