Valine-Leucine-Lysine-5-Aminoisophthalic Acid Dimethyl Ester
[CAS# 70552-60-2]

Identification

• Name: Valine-Leucine-Lysine-5-Aminoisophthalic Acid Dimethyl Ester
• Synonyms: Dimethyl 5-[[(1S)-5-Amino-1-[[(2S)-2-[[(2R)-2-Amino-3-Methyl-Butanoyl]Amino]-4-Methyl-Pentanoyl]Carbamoyl]Pentyl]Amino]Benzene-1,3-Dicarboxylate; 2,2,2-Trifluoroacetic Acid; 5-[[(1S)-5-Amino-1-[[[(2S)-2-[[(2R)-2-Amino-3-Methyl-1-Oxobutyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-Oxomethyl]Pentyl]Amino]Benzene-1,3-Dicarboxylic Acid Dimethyl Ester; 2,2,2-Trifluoroacetic Acid; 5-[[(1S)-5-Amino-1-[[(2S)-2-[[(2R)-2-Amino-3-Methyl-Butanoyl]Amino]-4-Methyl-Pentanoyl]Carbamoyl]Pentyl]Amino]Benzene-1,3-Dicarboxylic Acid Dimethyl Ester; 2,2,2-Trifluoroacetic Acid
• Molecular Formula: C₃₁H₄₅F₆N₅O₁₁
• Molecular Weight: 777.71
• CAS Registry Number: 70552-60-2
• SMILES: [C@@H](NC1=CC(=CC(=C1)C(OC)=O)C(OC)=O)(C(=O)NC(=O)[C@@H](NC(=O)[C@H](N)C(C)C)CC(C)C)CCCCN.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: 1S/C27H43N5O7.2C2HF3O2/c1-15(2)11-21(31-25(35)22(29)16(3)4)24(34)32-23(33)20(9-7-8-10-28)30-19-13-17(26(36)38-5)12-18(14-19)27(37)39-6;2*3-2(4,5)1(6)7/h12-16,20-22,30H,7-11,28-29H2,1-6H3,(H,31,35)(H,32,33,34);2*(H,6,7)/t20-,21-,22+;;/m0../s1
• InChIKey: UNOVCAFFCZIZHS-MXRROLBLSA-N

Properties

• Boiling point: 774.2°C at 760 mmHg (Cal.)
• Flash point: 422°C (Cal.)