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

Systemtic Name: methyl (2S)-2-(octanoylamino)-3-phenyl-propanoate Openeye Name: methyl (2S)-2-(octanoylamino)-3-phenyl-propanoate CAS Name: (2S)-2-(1-oxooctylamino)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-(octanoylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(caprylylamino)-3-phenyl-propionic acid methyl ester Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3/c1-3-4-5-6-10-13-17(20)19-16(18(21)22-2)14-15-11-8-7-9-12-15/h7-9,11-12,16H,3-6,10,13-14H2,1-2H3,(H,19,20)/t16-/m0/s1