(3S)-3-(4-tert-butylphenyl)-3-(4-phenylbutanoylamino)propanoic acid

Systemtic Name: (3S)-3-(4-tert-butylphenyl)-3-(4-phenylbutanoylamino)propanoic acid Openeye Name: (3S)-3-(4-tert-butylphenyl)-3-(4-phenylbutanoylamino)propanoic acid CAS Name: (3S)-3-(4-tert-butylphenyl)-3-[(1-oxo-4-phenylbutyl)amino]propanoic acid IUPAC Name: (3S)-3-(4-tert-butylphenyl)-3-(4-phenylbutanoylamino)propanoic acid Traditional Name: (3S)-3-(4-tert-butylphenyl)-3-(4-phenylbutanoylamino)propionic acid Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H](CC(=O)O)NC(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C23H29NO3/c1-23(2,3)19-14-12-18(13-15-19)20(16-22(26)27)24-21(25)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,12-15,20H,7,10-11,16H2,1-3H3,(H,24,25)(H,26,27)/t20-/m0/s1