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CAS 111372-60-2

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O-ethyl-N-[(1-sulfanylcyclohexyl)acetyl]-D-tyrosyl-L-phenylalanyl-L-valyl-L-asparaginyl-3-thioxo-L-alanyl-L-prolyl-L-glutaminyl-N~5~-(diaminomethylidene)-L-ornithinamide

Description:
O-ethyl-N-[(1-sulfanylcyclohexyl)acetyl]-D-tyrosyl-L-phenylalanyl-L-valyl-L-asparaginyl-3-thioxo-L-alanyl-L-prolyl-L-glutaminyl-N~5~-(diaminomethylidene)-L-ornithinamide, with CAS number 111372-60-2, is a complex organic compound characterized by its intricate peptide structure. This substance features multiple amino acid residues, including D-tyrosine, L-phenylalanine, L-valine, L-asparagine, and others, which contribute to its potential biological activity. The presence of a thioxo group and a sulfanylcyclohexyl moiety suggests that it may exhibit unique chemical reactivity and interactions. The ethyl and acetyl groups enhance its lipophilicity, potentially influencing its solubility and permeability in biological systems. Given its structural complexity, this compound may be of interest in medicinal chemistry, particularly in the development of peptide-based therapeutics. However, specific biological activities, pharmacokinetics, and toxicological profiles would require further investigation through experimental studies.
Formula:C56H82N14O12S2
InChI:InChI=1/C56H82N14O12S2/c1-4-82-35-19-17-34(18-20-35)28-38(63-45(73)30-56(84)23-9-6-10-24-56)49(76)66-39(27-33-13-7-5-8-14-33)51(78)69-46(32(2)3)53(80)67-40(29-44(58)72)50(77)68-41(31-83)54(81)70-26-12-16-42(70)52(79)65-37(21-22-43(57)71)48(75)64-36(47(59)74)15-11-25-62-55(60)61/h5,7-8,13-14,17-20,31-32,36-42,46,84H,4,6,9-12,15-16,21-30H2,1-3H3,(H2,57,71)(H2,58,72)(H2,59,74)(H,63,73)(H,64,75)(H,65,79)(H,66,76)(H,67,80)(H,68,77)(H,69,78)(H4,60,61,62)/t36-,37-,38+,39-,40-,41-,42-,46-/m0/s1
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