Eglin C (60-63)
[CAS# 122299-14-3]

Identification

• Name: Eglin C (60-63)
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]-4-Oxo-Butanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Methyl-Butanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S,3R)-2-Amino-3-Hydroxy-1-Oxobutyl]Amino]-1,4-Dioxobutyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-3-Methylbutanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S,3R)-2-Amino-3-Hydroxy-Butanoyl]Amino]-4-Keto-Butanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Methyl-Butyric Acid
• Molecular Formula: C₁₈H₃₃N₅O₇
• Molecular Weight: 431.49
• CAS Registry Number: 122299-14-3
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC([C@@H](N)[C@@H](C)O)=O)CC(=O)N)=O)C(C)C)=O)C(C)C
• InChI: 1S/C18H33N5O7/c1-7(2)13(17(28)23-14(8(3)4)18(29)30)22-15(26)10(6-11(19)25)21-16(27)12(20)9(5)24/h7-10,12-14,24H,6,20H2,1-5H3,(H2,19,25)(H,21,27)(H,22,26)(H,23,28)(H,29,30)/t9-,10+,12+,13+,14+/m1/s1
• InChIKey: KAMOTFUFDACEHJ-ZZEGJQGJSA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 891.193°C at 760 mmHg (Cal.)
• Flash point: 492.776°C (Cal.)