(2S)-2-(octanoylamino)-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-(octanoylamino)-3-phenyl-propanoic acid Openeye Name: (2S)-2-(octanoylamino)-3-phenyl-propanoic acid CAS Name: (2S)-2-(1-oxooctylamino)-3-phenylpropanoic acid IUPAC Name: (2S)-2-(octanoylamino)-3-phenylpropanoic acid Traditional Name: (2S)-2-(caprylylamino)-3-phenyl-propionic acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3/c1-2-3-4-5-9-12-16(19)18-15(17(20)21)13-14-10-7-6-8-11-14/h6-8,10-11,15H,2-5,9,12-13H2,1H3,(H,18,19)(H,20,21)/t15-/m0/s1