3-[[4-[[[3,5-bis(fluoranyl)phenyl]carbamoylamino]-(4-cyclohexylphenyl)methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[[3,5-bis(fluoranyl)phenyl]carbamoylamino]-(4-cyclohexylphenyl)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-cyclohexylphenyl)-[(3,5-difluorophenyl)carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-cyclohexylphenyl)-[[(3,5-difluoroanilino)-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-cyclohexylphenyl)-[(3,5-difluorophenyl)carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-cyclohexylphenyl)-[(3,5-difluorophenyl)carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C30H31F2N3O4 MolecularWeight: 535.581646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)NCCC(=O)O)NC(=O)NC4=CC(=CC(=C4)F)F

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)NCCC(=O)O)NC(=O)NC4=CC(=CC(=C4)F)F

InChI

InChI=1S/C30H31F2N3O4/c31-24-16-25(32)18-26(17-24)34-30(39)35-28(21-8-6-20(7-9-21)19-4-2-1-3-5-19)22-10-12-23(13-11-22)29(38)33-15-14-27(36)37/h6-13,16-19,28H,1-5,14-15H2,(H,33,38)(H,36,37)(H2,34,35,39)