(2S)-2-cyclohexyl-2-[[4-(4-fluorophenyl)-2-[(2,4,6-trimethylphenyl)carbamoylamino]phenyl]carbonylamino]ethanoic acid

Systemtic Name: (2S)-2-cyclohexyl-2-[[4-(4-fluorophenyl)-2-[(2,4,6-trimethylphenyl)carbamoylamino]phenyl]carbonylamino]ethanoic acid Openeye Name: (2S)-2-cyclohexyl-2-[[4-(4-fluorophenyl)-2-[(2,4,6-trimethylphenyl)carbamoylamino]benzoyl]amino]acetic acid CAS Name: (2S)-2-cyclohexyl-2-[[[4-(4-fluorophenyl)-2-[[oxo-(2,4,6-trimethylanilino)methyl]amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: (2S)-2-cyclohexyl-2-[[4-(4-fluorophenyl)-2-[(2,4,6-trimethylphenyl)carbamoylamino]benzoyl]amino]acetic acid Traditional Name: (2S)-2-cyclohexyl-2-[[4-(4-fluorophenyl)-2-(mesitylcarbamoylamino)benzoyl]amino]acetic acid Formula: C31H34FN3O4 MolecularWeight: 531.617763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)NC2=C(C=CC(=C2)C3=CC=C(C=C3)F)C(=O)NC(C4CCCCC4)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)NC2=C(C=CC(=C2)C3=CC=C(C=C3)F)C(=O)N[C@@H](C4CCCCC4)C(=O)O)C

InChI

InChI=1S/C31H34FN3O4/c1-18-15-19(2)27(20(3)16-18)35-31(39)33-26-17-23(21-9-12-24(32)13-10-21)11-14-25(26)29(36)34-28(30(37)38)22-7-5-4-6-8-22/h9-17,22,28H,4-8H2,1-3H3,(H,34,36)(H,37,38)(H2,33,35,39)/t28-/m0/s1