3-[[4-[(4-tert-butylcyclohexyl)-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-tert-butylcyclohexyl)-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-tert-butylcyclohexyl)-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-tert-butylcyclohexyl)-[[[4-cyano-3-(trifluoromethyl)anilino]-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-tert-butylcyclohexyl)-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-tert-butylcyclohexyl)-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C30H35F3N4O4 MolecularWeight: 572.61851

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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)C#N)C(F)(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)C#N)C(F)(F)F

InChI

InChI=1S/C30H35F3N4O4/c1-29(2,3)22-11-8-19(9-12-22)26(18-4-6-20(7-5-18)27(40)35-15-14-25(38)39)37-28(41)36-23-13-10-21(17-34)24(16-23)30(31,32)33/h4-7,10,13,16,19,22,26H,8-9,11-12,14-15H2,1-3H3,(H,35,40)(H,38,39)(H2,36,37,41)