N-Benzoyl-O,alpha-Dimethyl-D-Tyrosyl-N-Cyclohexyl-L-Phenylalaninamide
[CAS# 172168-08-0]

Identification

• Name: N-Benzoyl-O,alpha-Dimethyl-D-Tyrosyl-N-Cyclohexyl-L-Phenylalaninamide
• Synonyms: N-Benzoyl-O,¦Á-dimethyl-D-tyrosyl-N-cyclohexyl-L-phenylalaninamide; N-Benzoyl-O,α-dimethyl-D-tyrosyl-N-cyclohexyl-L-phenylalaninamide
• Molecular Formula: C₃₃H₃₉N₃O₄
• Molecular Weight: 541.68
• CAS Registry Number: 172168-08-0
• SMILES: C[C@@](Cc1ccc(cc1)OC)(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC3CCCCC3)NC(=O)c4ccccc4
• InChI: 1S/C33H39N3O4/c1-33(23-25-18-20-28(40-2)21-19-25,36-30(37)26-14-8-4-9-15-26)32(39)35-29(22-24-12-6-3-7-13-24)31(38)34-27-16-10-5-11-17-27/h3-4,6-9,12-15,18-21,27,29H,5,10-11,16-17,22-23H2,1-2H3,(H,34,38)(H,35,39)(H,36,37)/t29-,33+/m0/s1
• InChIKey: CCBHAMSLAUWPJD-RYCFQHDISA-N

Properties

• Density: 1.193g/cm³ (Cal.)
• Boiling point: 851.337°C at 760 mmHg (Cal.)
• Flash point: 468.672°C (Cal.)
• Refractive index: 1.606 (Cal.)