(2S)-N-[(2S)-4-[(4R)-4-(Tert-Butylcarbamoyl)-5,5-Dimethyl-1,3-Thiazolidin-3-Yl]-3-Hydroxy-4-Oxo-1-Phenylbutan-2-Yl]-2-[(2-Naphthalen-1-Yloxyacetyl)Amino]Butanediamide
[CAS# 141804-42-4]

Identification

• Name: (2S)-N-[(2S)-4-[(4R)-4-(Tert-Butylcarbamoyl)-5,5-Dimethyl-1,3-Thiazolidin-3-Yl]-3-Hydroxy-4-Oxo-1-Phenylbutan-2-Yl]-2-[(2-Naphthalen-1-Yloxyacetyl)Amino]Butanediamide
• Synonyms: (2S)-N-[(1S)-3-[(4R)-4-(Tert-Butylcarbamoyl)-5,5-Dimethyl-Thiazolidin-3-Yl]-2-Hydroxy-3-Oxo-1-(Phenylmethyl)Propyl]-2-[[2-(1-Naphthyloxy)Acetyl]Amino]Butanediamide; (2S)-N-[(1S)-3-[(4R)-4-[(Tert-Butylamino)-Oxomethyl]-5,5-Dimethyl-3-Thiazolidinyl]-2-Hydroxy-3-Oxo-1-(Phenylmethyl)Propyl]-2-[[2-(1-Naphthyloxy)-1-Oxoethyl]Amino]Butanediamide; (2S)-N-[(1S)-1-(Benzyl)-3-[(4R)-4-(Tert-Butylcarbamoyl)-5,5-Dimethyl-Thiazolidin-3-Yl]-2-Hydroxy-3-Keto-Propyl]-2-[[2-(1-Naphthyloxy)Acetyl]Amino]Succinamide
• Molecular Formula: C₃₆H₄₅N₅O₇S
• Molecular Weight: 691.84
• CAS Registry Number: 141804-42-4
• SMILES: [C@@H](C(=O)N[C@H](C(C(=O)N1CSC([C@H]1C(=O)NC(C)(C)C)(C)C)O)CC2=CC=CC=C2)(CC(=O)N)NC(=O)COC3=C4C(=CC=C3)C=CC=C4
• InChI: 1S/C36H45N5O7S/c1-35(2,3)40-33(46)31-36(4,5)49-21-41(31)34(47)30(44)25(18-22-12-7-6-8-13-22)39-32(45)26(19-28(37)42)38-29(43)20-48-27-17-11-15-23-14-9-10-16-24(23)27/h6-17,25-26,30-31,44H,18-21H2,1-5H3,(H2,37,42)(H,38,43)(H,39,45)(H,40,46)/t25-,26-,30?,31+/m0/s1
• InChIKey: UFSMRNQSQSGJII-RDMYVLJUSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 1075.002°C at 760 mmHg (Cal.)
• Flash point: 603.94°C (Cal.)