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CAS 65907-78-0

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1-{[(4R,7S,10S,16S,19R)-19-amino-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-7-(carboxymethyl)-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 with the name "1-{[(4R,7S,10S,16S,19R)-19-amino-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-7-(carboxymethyl)-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" and CAS number "65907-78-0" is a complex peptide derivative characterized by its intricate structure, which includes multiple amino acid residues and functional groups. This compound features a cyclic framework that incorporates sulfur and nitrogen atoms, contributing to its unique properties. The presence of various functional groups, such as carboxymethyl and hydroxybenzyl, suggests potential for biological activity, possibly influencing interactions with biological targets. Its stereochemistry, indicated by specific configurations at several chiral centers, may play a crucial role in its biological efficacy and pharmacokinetics. Overall, this substance is likely to exhibit significant interest in medicinal chemistry and pharmacology, particularly in the development of therapeutic agents.
Formula:C43H65N11O13S2
InChI:InChI=1/C43H65N11O13S2/c1-5-22(4)35-42(66)48-26(12-13-32(45)56)38(62)50-29(17-34(58)59)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(=N)O)C(=N[C@@H](CC(=O)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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