methyl (2S)-2-(dodecanoylamino)-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-(dodecanoylamino)-3-phenyl-propanoate Openeye Name: methyl (2S)-2-(dodecanoylamino)-3-phenyl-propanoate CAS Name: (2S)-2-(1-oxododecylamino)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-(dodecanoylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(lauroylamino)-3-phenyl-propionic acid methyl ester Formula: C22H35NO3 MolecularWeight: 361.5182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C22H35NO3/c1-3-4-5-6-7-8-9-10-14-17-21(24)23-20(22(25)26-2)18-19-15-12-11-13-16-19/h11-13,15-16,20H,3-10,14,17-18H2,1-2H3,(H,23,24)/t20-/m0/s1