(2S)-N-[(2S,3R,4R)-5-[[(2S)-1-(1H-Benzimidazol-2-Ylmethylamino)-3-Methyl-1-Oxobutan-2-Yl]Amino]-3-Hydroxy-4-[(4-Methoxyphenyl)Methylamino]-5-Oxo-1-Phenylpentan-2-Yl]-2-[[(2S)-2-Hydroxy-2-Phenylpropanoyl]Amino]-3,3-Dimethylbutanamide
[CAS# 161389-25-9]

Identification

• Name: (2S)-N-[(2S,3R,4R)-5-[[(2S)-1-(1H-Benzimidazol-2-Ylmethylamino)-3-Methyl-1-Oxobutan-2-Yl]Amino]-3-Hydroxy-4-[(4-Methoxyphenyl)Methylamino]-5-Oxo-1-Phenylpentan-2-Yl]-2-[[(2S)-2-Hydroxy-2-Phenylpropanoyl]Amino]-3,3-Dimethylbutanamide
• Synonyms: (2S)-N-[(1S,2R,3R)-4-[[(1S)-1-(1H-Benzimidazol-2-Ylmethylcarbamoyl)-2-Methyl-Propyl]Amino]-2-Hydroxy-3-[(4-Methoxyphenyl)Methylamino]-4-Oxo-1-(Phenylmethyl)Butyl]-2-[[(2S)-2-Hydroxy-2-Phenyl-Propanoyl]Amino]-3,3-Dimethyl-Butanamide; (2S)-N-[(1S,2R,3R)-4-[[(1S)-1-[(1H-Benzimidazol-2-Ylmethylamino)-Oxomethyl]-2-Methylpropyl]Amino]-2-Hydroxy-3-[(4-Methoxyphenyl)Methylamino]-4-Oxo-1-(Phenylmethyl)Butyl]-2-[[(2S)-2-Hydroxy-1-Oxo-2-Phenylpropyl]Amino]-3,3-Dimethylbutanamide; (2S)-N-[(1S,2R,3R)-4-[[(1S)-1-(1H-Benzimidazol-2-Ylmethylcarbamoyl)-2-Methyl-Propyl]Amino]-1-(Benzyl)-2-Hydroxy-4-Keto-3-[(4-Methoxybenzyl)Amino]Butyl]-2-[[(2S)-2-Hydroxy-2-Phenyl-Propanoyl]Amino]-3,3-Dimethyl-Butyramide
• Molecular Formula: C₄₇H₅₉N₇O₇
• Molecular Weight: 834.03
• CAS Registry Number: 161389-25-9
• SMILES: [C@H](C(N[C@H](C(NCC2=NC1=CC=CC=C1[NH]2)=O)C(C)C)=O)([C@@H]([C@@H](NC([C@@H](NC([C@](C3=CC=CC=C3)(O)C)=O)C(C)(C)C)=O)CC4=CC=CC=C4)O)NCC5=CC=C(C=C5)OC
• InChI: 1S/C47H59N7O7/c1-29(2)38(42(56)49-28-37-50-34-20-14-15-21-35(34)51-37)53-43(57)39(48-27-31-22-24-33(61-7)25-23-31)40(55)36(26-30-16-10-8-11-17-30)52-44(58)41(46(3,4)5)54-45(59)47(6,60)32-18-12-9-13-19-32/h8-25,29,36,38-41,48,55,60H,26-28H2,1-7H3,(H,49,56)(H,50,51)(H,52,58)(H,53,57)(H,54,59)/t36-,38-,39+,40+,41+,47-/m0/s1
• InChIKey: GSXZOVDJUCOJAW-JZPLEXDRSA-N

Properties

• Density: 1.229g/cm³ (Cal.)
• Boiling point: 1151.557°C at 760 mmHg (Cal.)
• Flash point: 650.238°C (Cal.)