Cysteinyl-Leucyl-Glutamyl-Glutamyl-Prolyl-Cysteine Cyclic Disulfide
[CAS# 72903-48-1]

Identification

• Name: Cysteinyl-Leucyl-Glutamyl-Glutamyl-Prolyl-Cysteine Cyclic Disulfide
• Synonyms: (4S)-4-[[(2S)-2-[[(2R)-2-Amino-3-Sulfanyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-5-[[(1S)-1-[2-[[(1S)-2,2-Dihydroxy-1-Methyl-2-Sulfanyl-Ethyl]Carbamoyl]Pyrrole-1-Carbonyl]-4-Hydroxy-4-Oxo-Butyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-[[(2S)-2-[[(2R)-2-Amino-3-Mercapto-1-Oxopropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-5-[[(1S)-1-[[2-[[[(1S)-2,2-Dihydroxy-2-Mercapto-1-Methylethyl]Amino]-Oxomethyl]-1-Pyrrolyl]-Oxomethyl]-4-Hydroxy-4-Oxobutyl]Amino]-5-Oxopentanoic Acid; (4S)-4-[[(2S)-2-[[(2R)-2-Amino-3-Mercapto-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-5-[[(1S)-1-[2-[[(1S)-2,2-Dihydroxy-2-Mercapto-1-Methyl-Ethyl]Carbamoyl]Pyrrole-1-Carbonyl]-4-Hydroxy-4-Keto-Butyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₂₇H₄₂N₆O₁₁S₂
• Molecular Weight: 690.78
• CAS Registry Number: 72903-48-1
• SMILES: [C@H](C(O)(O)S)(NC(C1=CC=C[N]1C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CS)=O)CC(C)C)=O)CCC(=O)O)=O)CCC(=O)O)=O)=O)C
• InChI: 1S/C27H42N6O11S2/c1-13(2)11-18(32-22(38)15(28)12-45)24(40)30-16(6-8-20(34)35)23(39)31-17(7-9-21(36)37)26(42)33-10-4-5-19(33)25(41)29-14(3)27(43,44)46/h4-5,10,13-18,43-46H,6-9,11-12,28H2,1-3H3,(H,29,41)(H,30,40)(H,31,39)(H,32,38)(H,34,35)(H,36,37)/t14-,15-,16-,17-,18-/m0/s1
• InChIKey: GDIAMDMRNIFOBH-ATIWLJMLSA-N

Properties

• Density: 1.521g/cm³ (Cal.)
• Boiling point: 1095.863°C at 760 mmHg (Cal.)
• Flash point: 616.556°C (Cal.)