Cyclo(acetyl-penicillamyl-arginyl-glycyl-aspartyl-cysteinyl)
[CAS# 151171-08-3]

Identification

• Name: Cyclo(acetyl-penicillamyl-arginyl-glycyl-aspartyl-cysteinyl)
• Synonyms: (2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-Acetamido-3-Methyl-3-Sulfanyl-Butanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]Acetyl]Amino]-4-Oxo-Butanoyl]Amino]-3-Thioxo-Propaneperoxoic Acid; Acetic Acid; (2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-Acetamido-3-Mercapto-3-Methyl-1-Oxobutyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-1-Oxoethyl]Amino]-1,4-Dioxobutyl]Amino]-3-Thioxopropaneperoxoic Acid; Acetic Acid; (2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-Acetamido-3-Mercapto-3-Methyl-Butanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]Acetyl]Amino]-4-Keto-Butanoyl]Amino]-3-Thioxo-Peroxypropionic Acid; Acetic Acid
• Molecular Formula: C₂₄H₄₀N₈O₁₁S₂
• Molecular Weight: 680.75
• CAS Registry Number: 151171-08-3
• SMILES: [C@H](NC(=O)C)(C(S)(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC=O)C(=O)N[C@H](C(OO)=O)C=S.CC(O)=O
• InChI: 1S/C22H36N8O9S2.C2H4O2/c1-11(32)27-16(22(2,3)41)19(36)29-12(5-4-7-25-21(23)24)17(34)26-9-15(33)28-13(6-8-31)18(35)30-14(10-40)20(37)39-38;1-2(3)4/h8,10,12-14,16,38,41H,4-7,9H2,1-3H3,(H,26,34)(H,27,32)(H,28,33)(H,29,36)(H,30,35)(H4,23,24,25);1H3,(H,3,4)/t12-,13-,14-,16+;/m0./s1
• InChIKey: FLJZYJMUWOPMQL-IAFOQGIUSA-N