(E)-N-Butyl-2-[[(1R,2S)-3-Cyclohexyl-1-Hydroxy-2-[[(2S)-1-[[(2S)-2-[3-(3-Hydroxy-4-Iodophenyl)Propanoylamino]-3-Phenylpropanoyl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropan-2-Yl]Amino]Propyl]Amino]Hex-4-Enamide
[CAS# 130507-23-2]

Identification

• Name: (E)-N-Butyl-2-[[(1R,2S)-3-Cyclohexyl-1-Hydroxy-2-[[(2S)-1-[[(2S)-2-[3-(3-Hydroxy-4-Iodophenyl)Propanoylamino]-3-Phenylpropanoyl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropan-2-Yl]Amino]Propyl]Amino]Hex-4-Enamide
• Synonyms: (E)-N-Butyl-2-[[(1R,2S)-3-Cyclohexyl-1-Hydroxy-2-[[(1S)-2-[[(2S)-2-[3-(3-Hydroxy-4-Iodo-Phenyl)Propanoylamino]-3-Phenyl-Propanoyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Amino]Propyl]Amino]Hex-4-Enamide; (E)-N-Butyl-2-[[(1R,2S)-3-Cyclohexyl-1-Hydroxy-2-[[(1S)-2-[[(2S)-2-[[3-(3-Hydroxy-4-Iodophenyl)-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Amino]Propyl]Amino]Hex-4-Enamide; (E)-N-Butyl-2-[[(1R,2S)-3-Cyclohexyl-1-Hydroxy-2-[[(1S)-2-[[(2S)-2-[3-(3-Hydroxy-4-Iodo-Phenyl)Propanoylamino]-3-Phenyl-Propanoyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Amino]Propyl]Amino]Hex-4-Enamide
• Molecular Formula: C₄₃H₆₀IN₇O₆
• Molecular Weight: 897.89
• CAS Registry Number: 130507-23-2
• SMILES: [C@H](N[C@@H](CC1=CN=C[NH]1)C(=O)NC(=O)[C@@H](NC(=O)CCC2=CC(=C(I)C=C2)O)CC3=CC=CC=C3)(CC4CCCCC4)[C@@H](O)NC(C\C=C\C)C(=O)NCCCC
• InChI: 1S/C43H60IN7O6/c1-3-5-17-34(40(54)46-22-6-4-2)50-41(55)35(23-29-13-9-7-10-14-29)48-37(26-32-27-45-28-47-32)43(57)51-42(56)36(24-30-15-11-8-12-16-30)49-39(53)21-19-31-18-20-33(44)38(52)25-31/h3,5,8,11-12,15-16,18,20,25,27-29,34-37,41,48,50,52,55H,4,6-7,9-10,13-14,17,19,21-24,26H2,1-2H3,(H,45,47)(H,46,54)(H,49,53)(H,51,56,57)/b5-3+/t34?,35-,36-,37-,41+/m0/s1
• InChIKey: LIPAPUJYAPLADJ-AYLOIORXSA-N

Properties

• Density: 1.332g/cm³ (Cal.)
• Boiling point: 1065.232°C at 760 mmHg (Cal.)
• Flash point: 598.031°C (Cal.)