5-(2-Aminoadipyl)Cysteinylvaline
[CAS# 21566-74-5]

Identification

• Name: 5-(2-Aminoadipyl)Cysteinylvaline
• Synonyms: (2S)-2-Amino-6-[[(1R)-2-[[(1R)-1-Carboxy-2-Methyl-Propyl]Amino]-2-Oxo-1-(Sulfanylmethyl)Ethyl]Amino]-6-Oxo-Hexanoic Acid; (2S)-2-Amino-6-[[(1R)-2-[[(1R)-1-Carboxy-2-Methylpropyl]Amino]-1-(Mercaptomethyl)-2-Oxoethyl]Amino]-6-Oxohexanoic Acid; (2S)-2-Amino-6-[[(1R)-2-[[(1R)-1-Carboxy-2-Methyl-Propyl]Amino]-2-Keto-1-(Mercaptomethyl)Ethyl]Amino]-6-Keto-Hexanoic Acid
• Molecular Formula: C₁₄H₂₅N₃O₆S
• Molecular Weight: 363.43
• CAS Registry Number: 21566-74-5
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)CCC[C@H](N)C(O)=O)CS)(C(C)C)C(O)=O
• InChI: 1S/C14H25N3O6S/c1-7(2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9-,11+/m0/s1
• InChIKey: BYEIJZFKOAXBBV-ATZCPNFKSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 718.1±60.0°C at 760 mmHg (Cal.)
• Flash point: 388.1±32.9°C (Cal.)

References

• (1): Muhammad Moniruzzaman, Yoshiro Tahara, Miki Tamura, Noriho Kamiya and Masahiro Goto. Ionic liquid-assisted transdermal delivery of sparingly soluble drugs, Chem. Commun., 2010, 46, 1452.