(2S)-3-cyclohexyl-2-[[4-methyl-3-(4-phenylphenyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: (2S)-3-cyclohexyl-2-[[4-methyl-3-(4-phenylphenyl)phenyl]carbonylamino]propanoic acid Openeye Name: (2S)-3-cyclohexyl-2-[[4-methyl-3-(4-phenylphenyl)benzoyl]amino]propanoic acid CAS Name: (2S)-3-cyclohexyl-2-[[[4-methyl-3-(4-phenylphenyl)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-cyclohexyl-2-[[4-methyl-3-(4-phenylphenyl)benzoyl]amino]propanoic acid Traditional Name: (2S)-3-cyclohexyl-2-[[4-methyl-3-(4-phenylphenyl)benzoyl]amino]propionic acid Formula: C29H31NO3 MolecularWeight: 441.56134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(CC2CCCCC2)C(=O)O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@@H](CC2CCCCC2)C(=O)O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H31NO3/c1-20-12-13-25(28(31)30-27(29(32)33)18-21-8-4-2-5-9-21)19-26(20)24-16-14-23(15-17-24)22-10-6-3-7-11-22/h3,6-7,10-17,19,21,27H,2,4-5,8-9,18H2,1H3,(H,30,31)(H,32,33)/t27-/m0/s1