(2S)-3-(4-butoxyphenyl)-2-[(4-propan-2-ylcyclohexyl)carbonylamino]propanoic acid

Systemtic Name: (2S)-3-(4-butoxyphenyl)-2-[(4-propan-2-ylcyclohexyl)carbonylamino]propanoic acid Openeye Name: (2S)-3-(4-butoxyphenyl)-2-[(4-isopropylcyclohexanecarbonyl)amino]propanoic acid CAS Name: (2S)-3-(4-butoxyphenyl)-2-[[oxo-(4-propan-2-ylcyclohexyl)methyl]amino]propanoic acid IUPAC Name: (2S)-3-(4-butoxyphenyl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid Traditional Name: (2S)-3-(4-butoxyphenyl)-2-[(4-isopropylcyclohexanecarbonyl)amino]propionic acid Formula: C23H35NO4 MolecularWeight: 389.5283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2CCC(CC2)C(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C2CCC(CC2)C(C)C

InChI

InChI=1S/C23H35NO4/c1-4-5-14-28-20-12-6-17(7-13-20)15-21(23(26)27)24-22(25)19-10-8-18(9-11-19)16(2)3/h6-7,12-13,16,18-19,21H,4-5,8-11,14-15H2,1-3H3,(H,24,25)(H,26,27)/t18?,19?,21-/m0/s1