Tert-Butyl N-[(2S)-1-[[(2S)-1-[[(4S,5R,6R,7R)-5,6-Dihydroxy-2,8-Dimethyl-7-[[(2S)-2-Methylbutyl]Carbamoyl]Nonan-4-Yl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Carbamate
[CAS# 107600-10-2]

Identification

• Name: Tert-Butyl N-[(2S)-1-[[(2S)-1-[[(4S,5R,6R,7R)-5,6-Dihydroxy-2,8-Dimethyl-7-[[(2S)-2-Methylbutyl]Carbamoyl]Nonan-4-Yl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Carbamate
• Synonyms: Tert-Butyl N-[(1S)-2-[[(1S)-2-[[(1S,2R,3R,4R)-2,3-Dihydroxy-1-Isobutyl-5-Methyl-4-[[(2S)-2-Methylbutyl]Carbamoyl]Hexyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamate; N-[(1S)-2-[[(1S)-2-[[(1S,2R,3R,4R)-2,3-Dihydroxy-1-Isobutyl-5-Methyl-4-[[[(2S)-2-Methylbutyl]Amino]-Oxomethyl]Hexyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamic Acid Tert-Butyl Ester; N-[(1S)-1-(Benzyl)-2-[[(1S)-2-[[(1S,2R,3R,4R)-2,3-Dihydroxy-1-Isobutyl-5-Methyl-4-[[(2S)-2-Methylbutyl]Carbamoyl]Hexyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Carbamic Acid Tert-Butyl Ester
• Molecular Formula: C₃₇H₆₀N₆O₇
• Molecular Weight: 700.92
• CAS Registry Number: 107600-10-2
• SMILES: [C@@H]([C@H]([C@@H]([C@@H](NC([C@@H](NC([C@@H](NC(OC(C)(C)C)=O)CC1=CC=CC=C1)=O)CC2=CN=C[NH]2)=O)CC(C)C)O)O)(C(NC[C@H](CC)C)=O)C(C)C
• InChI: 1S/C37H60N6O7/c1-10-24(6)19-39-35(48)30(23(4)5)32(45)31(44)27(16-22(2)3)41-34(47)29(18-26-20-38-21-40-26)42-33(46)28(17-25-14-12-11-13-15-25)43-36(49)50-37(7,8)9/h11-15,20-24,27-32,44-45H,10,16-19H2,1-9H3,(H,38,40)(H,39,48)(H,41,47)(H,42,46)(H,43,49)/t24-,27-,28-,29-,30+,31+,32+/m0/s1
• InChIKey: PIKMEJCYGLUULJ-YHCBXFNRSA-N

Properties

• Density: 1.145g/cm³ (Cal.)
• Boiling point: 982.739°C at 760 mmHg (Cal.)
• Flash point: 548.141°C (Cal.)