(2R)-2-(Tert-Butylsulfonylmethyl)-N-[(2S)-1-[[(2R,3S,4R)-1-Cyclohexyl-4-Cyclopropyl-3,4-Dihydroxybutan-2-Yl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropan-2-Yl]-3-Phenylpropanamide
[CAS# 135669-48-6]

Identification

• Name: (2R)-2-(Tert-Butylsulfonylmethyl)-N-[(2S)-1-[[(2R,3S,4R)-1-Cyclohexyl-4-Cyclopropyl-3,4-Dihydroxybutan-2-Yl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropan-2-Yl]-3-Phenylpropanamide
• Synonyms: (2R)-2-(Tert-Butylsulfonylmethyl)-N-[(1S)-2-[[(1R,2S,3R)-1-(Cyclohexylmethyl)-3-Cyclopropyl-2,3-Dihydroxy-Propyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]-3-Phenyl-Propanamide; (2R)-2-(Tert-Butylsulfonylmethyl)-N-[(1S)-2-[[(1R,2S,3R)-1-(Cyclohexylmethyl)-3-Cyclopropyl-2,3-Dihydroxypropyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]-3-Phenylpropanamide; (2R)-2-(Benzyl)-3-Tert-Butylsulfonyl-N-[(1S)-2-[[(1R,2S,3R)-1-(Cyclohexylmethyl)-3-Cyclopropyl-2,3-Dihydroxy-Propyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Propionamide
• Molecular Formula: C₃₃H₅₀N₄O₆S
• Molecular Weight: 630.84
• CAS Registry Number: 135669-48-6
• SMILES: [C@H](C[S](=O)(=O)C(C)(C)C)(C(N[C@H](C(N[C@@H]([C@@H]([C@@H](C1CC1)O)O)CC2CCCCC2)=O)CC3=CN=C[NH]3)=O)CC4=CC=CC=C4
• InChI: 1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28-,29+,30-/m0/s1
• InChIKey: UXIGZRQVLGFTOU-PUNKFERVSA-N

Properties

• Density: 1.241g/cm³ (Cal.)
• Boiling point: 970.204°C at 760 mmHg (Cal.)
• Flash point: 540.56°C (Cal.)