Tert-Butyloxycarbonyl-Valyl-Alanyl-Leucyl-2-Aminoisobutyryl-Valyl-Alanyl-Leucyl Methyl Ester
[CAS# 127337-62-6]

Identification

• Name: Tert-Butyloxycarbonyl-Valyl-Alanyl-Leucyl-2-Aminoisobutyryl-Valyl-Alanyl-Leucyl Methyl Ester
• Synonyms: Methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(Tert-Butoxycarbonylamino)-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-2-Methyl-Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]-4-Methyl-Pentanoate Hydrate; (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(Tert-Butoxy-Oxomethyl)Amino]-3-Methyl-1-Oxobutyl]Amino]-1-Oxopropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-2-Methyl-1-Oxopropyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-1-Oxopropyl]Amino]-4-Methylpentanoic Acid Methyl Ester Hydrate; (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(Tert-Butoxycarbonylamino)-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-2-Methyl-Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]-4-Methyl-Valeric Acid Methyl Ester Hydrate
• Molecular Formula: C₇₆H₁₄₀N₁₄O₂₁
• Molecular Weight: 1586.02
• CAS Registry Number: 127337-62-6
• SMILES: [C@H](C(=O)OC)(NC([C@@H](NC([C@@H](NC(C(NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)OC(C)(C)C)C(C)C)=O)C)=O)CC(C)C)=O)(C)C)=O)C(C)C)=O)C)=O)CC(C)C.[C@H](C(=O)OC)(NC([C@@H](NC([C@@H](NC(C(NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)OC(C)(C)C)C(C)C)=O)C)=O)CC(C)C)=O)(C)C)=O)C(C)C)=O)C)=O)CC(C)C.O
• InChI: 1S/2C38H69N7O10.H2O/c2*1-19(2)17-25(41-29(46)23(9)40-33(50)28(22(7)8)44-36(53)55-37(11,12)13)31(48)45-38(14,15)35(52)43-27(21(5)6)32(49)39-24(10)30(47)42-26(18-20(3)4)34(51)54-16;/h2*19-28H,17-18H2,1-16H3,(H,39,49)(H,40,50)(H,41,46)(H,42,47)(H,43,52)(H,44,53)(H,45,48);1H2/t2*23-,24-,25-,26-,27-,28-;/m00./s1
• InChIKey: BWRPOTMYGIJREE-GDIQTHMSSA-N

Properties

• Boiling point: 1001.9°C at 760 mmHg (Cal.)
• Flash point: 559.7°C (Cal.)