(3S)-3-[[(3S)-3-phenylbutanoyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid

Systemtic Name: (3S)-3-[[(3S)-3-phenylbutanoyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid Openeye Name: (3S)-3-(4-isopropoxyphenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoic acid CAS Name: (3S)-3-[[(3S)-1-oxo-3-phenylbutyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid IUPAC Name: (3S)-3-[[(3S)-3-phenylbutanoyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid Traditional Name: (3S)-3-(4-isopropoxyphenyl)-3-[[(3S)-3-phenylbutanoyl]amino]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)CC(C)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](CC(=O)N[C@@H](CC(=O)O)C1=CC=C(C=C1)OC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C22H27NO4/c1-15(2)27-19-11-9-18(10-12-19)20(14-22(25)26)23-21(24)13-16(3)17-7-5-4-6-8-17/h4-12,15-16,20H,13-14H2,1-3H3,(H,23,24)(H,25,26)/t16-,20-/m0/s1