Enalkiren
[CAS# 113082-98-7]

Identification

• Name: Enalkiren
• Synonyms: 3-Amino-N-[(1S)-2-[[(1S)-2-[[(1S,2R,3S)-1-(Cyclohexylmethyl)-2,3-Dihydroxy-5-Methyl-Hexyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Amino]-1-[(4-Methoxyphenyl)Methyl]-2-Oxo-Ethyl]-3-Methyl-Butanamide; 3-Amino-N-[(1S)-2-[[(1S)-2-[[(1S,2R,3S)-1-(Cyclohexylmethyl)-2,3-Dihydroxy-5-Methylhexyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Amino]-1-[(4-Methoxyphenyl)Methyl]-2-Oxoethyl]-3-Methylbutanamide; 3-Amino-N-[(1S)-2-[[(1S)-2-[[(1S,2R,3S)-1-(Cyclohexylmethyl)-2,3-Dihydroxy-5-Methyl-Hexyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Amino]-2-Keto-1-(4-Methoxybenzyl)Ethyl]-3-Methyl-Butyramide
• Molecular Formula: C₃₅H₅₆N₆O₆
• Molecular Weight: 656.86
• CAS Registry Number: 113082-98-7
• SMILES: [C@H](CC1=CN=C[NH]1)(C(N[C@@H](CC2CCCCC2)[C@H]([C@H](CC(C)C)O)O)=O)NC([C@H](CC3=CC=C(OC)C=C3)NC(CC(C)(C)N)=O)=O
• InChI: 1S/C35H56N6O6/c1-22(2)15-30(42)32(44)27(16-23-9-7-6-8-10-23)40-34(46)29(18-25-20-37-21-38-25)41-33(45)28(39-31(43)19-35(3,4)36)17-24-11-13-26(47-5)14-12-24/h11-14,20-23,27-30,32,42,44H,6-10,15-19,36H2,1-5H3,(H,37,38)(H,39,43)(H,40,46)(H,41,45)/t27-,28-,29-,30-,32+/m0/s1
• InChIKey: KQXVERRYBYGQJZ-WRPDIKACSA-N

Properties

• Density: 1.172g/cm³ (Cal.)
• Boiling point: 986.299°C at 760 mmHg (Cal.)
• Flash point: 550.294°C (Cal.)