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CAS 4314-67-4

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1-{[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-(2-carboxyethyl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-leucylglycinamide

Description:
The chemical substance known as "1-{[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-(2-carboxyethyl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-leucylglycinamide" with the CAS number 4314-67-4 is a complex peptide compound characterized by its intricate structure, which includes multiple amino acid residues and a unique cyclic framework. This substance features a pentaazacycloicosane core, indicating a significant degree of nitrogen incorporation, which may contribute to its biological activity. The presence of various functional groups, such as carboxylic acids, amines, and hydroxyl groups, suggests potential interactions with biological targets, making it of interest in medicinal chemistry. Its stereochemistry, denoted by specific R and S configurations, implies that it may exhibit chiral properties, influencing its pharmacodynamics and pharmacokinetics. Overall, this compound's complexity and structural features may render it a candidate for further research in therapeutic applications, particularly in the fields of peptide-based drugs and biochemistry.
Formula:C43H65N11O13S2
InChI:InChI=1/C43H65N11O13S2/c1-5-22(4)35-42(66)48-26(12-13-34(58)59)38(62)50-29(17-32(45)56)39(63)52-30(20-69-68-19-25(44)36(60)49-28(40(64)53-35)16-23-8-10-24(55)11-9-23)43(67)54-14-6-7-31(54)41(65)51-27(15-21(2)3)37(61)47-18-33(46)57/h8-11,21-22,25-31,35,55H,5-7,12-20,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,61)(H,48,66)(H,49,60)(H,50,62)(H,51,65)(H,52,63)(H,53,64)(H,58,59)/t22-,25-,26-,27-,28-,29-,30-,31-,35?/m0/s1
SMILES:CC[C@H](C)C1C(=N[C@@H](CCC(=O)O)C(=N[C@@H](CC(=N)O)C(=N[C@@H](CSSC[C@@H](C(=N[C@@H](Cc2ccc(cc2)O)C(=N1)O)O)N)C(=O)N1CCC[C@H]1C(=N[C@@H](CC(C)C)C(=NCC(=N)O)O)O)O)O)O
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