(3S)-3-(4-phenylbutanoylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid

Systemtic Name: (3S)-3-(4-phenylbutanoylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid Openeye Name: (3S)-3-(4-isopropoxyphenyl)-3-(4-phenylbutanoylamino)propanoic acid CAS Name: (3S)-3-[(1-oxo-4-phenylbutyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid IUPAC Name: (3S)-3-(4-phenylbutanoylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid Traditional Name: (3S)-3-(4-isopropoxyphenyl)-3-(4-phenylbutanoylamino)propionic acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCCC2=CC=CC=C2

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@H](CC(=O)O)NC(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO4/c1-16(2)27-19-13-11-18(12-14-19)20(15-22(25)26)23-21(24)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-14,16,20H,6,9-10,15H2,1-2H3,(H,23,24)(H,25,26)/t20-/m0/s1