N-[(2R)-1-{[(2S,3R,4S)-1-Cyclohexyl-4-Cyclopropyl-3,4-Dihydroxy-2-Butanyl]Amino}-1-Oxo-3-(1,3-Thiazol-4-Yl)-2-Propanyl]-1H-Benzimidazole-2-Carboxamide
[CAS# 134362-79-1]

Identification

• Name: N-[(2R)-1-{[(2S,3R,4S)-1-Cyclohexyl-4-Cyclopropyl-3,4-Dihydroxy-2-Butanyl]Amino}-1-Oxo-3-(1,3-Thiazol-4-Yl)-2-Propanyl]-1H-Benzimidazole-2-Carboxamide
• Synonyms: [134362-79-1]; 1H-Benzoimidazole-2-carboxylic acid [(R)-1-((1S,2R,3S)-1-cyclohexylmethyl-3-cyclopropyl-2,3-dihydroxy-propylcarbamoyl)-2-thiazol-4-yl-ethyl]-amide; N-[(1R)-2-[[(1S,2R,3S)-1-(Cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]amino]-2-oxo-1-(4-thiazolylmethyl)ethyl]-1H-benzimidazole-2-carboxamide
• Molecular Formula: C₂₇H₃₅N₅O₄S
• Molecular Weight: 525.66
• CAS Registry Number: 134362-79-1
• SMILES: C1CCC(CC1)C[C@@H]([C@H]([C@H](C2CC2)O)O)NC(=O)[C@@H](CC3=CSC=N3)NC(=O)C4=NC5=CC=CC=C5N4
• InChI: 1S/C27H35N5O4S/c33-23(17-10-11-17)24(34)21(12-16-6-2-1-3-7-16)31-26(35)22(13-18-14-37-15-28-18)32-27(36)25-29-19-8-4-5-9-20(19)30-25/h4-5,8-9,14-17,21-24,33-34H,1-3,6-7,10-13H2,(H,29,30)(H,31,35)(H,32,36)/t21-,22+,23-,24+/m0/s1
• InChIKey: JHRSGCIIDRWHCD-UARRHKHWSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Refractive index: 1.655 (Cal.)
• solubility: Soluble to 100 mM in DMSO and to 100 mM in ethanol