N-[4-[[[trans-4-(1,1-Dimethylethyl)cyclohexyl][[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]methyl]benzoyl]-beta-Alanine
[CAS# 307983-31-9]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Alanine derivatives
• Name: N-[4-[[[trans-4-(1,1-Dimethylethyl)cyclohexyl][[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]methyl]benzoyl]-beta-Alanine
• Synonyms: B-Alanine, N-[4-[[[Trans-4-(1,1-Dimethylethyl)Cyclohexyl][[[4-(Trifluoromethoxy)Phenyl]Amino]Carbonyl]Amino]Methyl]Benzoyl]-; GRA Ex-25
• Molecular Formula: C₂₉H₃₆F₃N₃O₅
• Molecular Weight: 563.61
• CAS Registry Number: 307983-31-9
• SMILES: OC(=O)CCNC(=O)c1ccc(cc1)CN(C(=O)Nc1ccc(cc1)OC(F)(F)F)[C@@H]1CC[C@H](CC1)C(C)(C)C
• InChI: 1S/C29H36F3N3O5/c1-28(2,3)21-8-12-23(13-9-21)35(27(39)34-22-10-14-24(15-11-22)40-29(30,31)32)18-19-4-6-20(7-5-19)26(38)33-17-16-25(36)37/h4-7,10-11,14-15,21,23H,8-9,12-13,16-18H2,1-3H3,(H,33,38)