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

Systemtic Name: 3-[[4-[[[3,4-bis(fluoranyl)phenyl]carbamoylamino]-(4-tert-butylcyclohexyl)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-tert-butylcyclohexyl)-[(3,4-difluorophenyl)carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-tert-butylcyclohexyl)-[[(3,4-difluoroanilino)-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-tert-butylcyclohexyl)-[(3,4-difluorophenyl)carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-tert-butylcyclohexyl)-[(3,4-difluorophenyl)carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C28H35F2N3O4 MolecularWeight: 515.592006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(C2=CC=C(C=C2)C(=O)NCCC(=O)O)NC(=O)NC3=CC(=C(C=C3)F)F

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(C2=CC=C(C=C2)C(=O)NCCC(=O)O)NC(=O)NC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C28H35F2N3O4/c1-28(2,3)20-10-8-18(9-11-20)25(33-27(37)32-21-12-13-22(29)23(30)16-21)17-4-6-19(7-5-17)26(36)31-15-14-24(34)35/h4-7,12-13,16,18,20,25H,8-11,14-15H2,1-3H3,(H,31,36)(H,34,35)(H2,32,33,37)