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CAS 79486-60-5

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(4R,7S,10S,13S,16S,19R)-10-(4-aminobutyl)-16-benzyl-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-(L-phenylalanylamino)-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide

Description:
The chemical substance with the name "(4R,7S,10S,13S,16S,19R)-10-(4-aminobutyl)-16-benzyl-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-(L-phenylalanylamino)-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide" and CAS number "79486-60-5" is a complex organic compound characterized by its intricate structure, which includes multiple functional groups and stereocenters. This compound features a pentaazacycloicosane backbone, indicating a cyclic structure with five nitrogen atoms integrated into the ring. The presence of various substituents, such as an aminobutyl group, a benzyl group, and an indole moiety, suggests potential biological activity, possibly as a pharmaceutical agent. The multiple carbonyl (oxo) groups and the carboxamide functionality contribute to its chemical reactivity and solubility properties. Additionally, the stereochemistry indicated by the R and S designations implies that the compound may exhibit specific interactions with biological targets, which could be relevant for its application in medicinal chemistry. Overall, this compound exemplifies the complexity often found in bioactive molecules.
Formula:C45H58N10O8S2
InChI:InChI=1/C45H58N10O8S2/c1-26(56)38-45(63)53-36(39(48)57)24-64-65-25-37(54-40(58)31(47)20-27-12-4-2-5-13-27)44(62)51-34(21-28-14-6-3-7-15-28)42(60)52-35(22-29-23-49-32-17-9-8-16-30(29)32)43(61)50-33(41(59)55-38)18-10-11-19-46/h2-9,12-17,23,26,31,33-38,49,56H,10-11,18-22,24-25,46-47H2,1H3,(H2,48,57)(H,50,61)(H,51,62)(H,52,60)(H,53,63)(H,54,58)(H,55,59)/t26-,31+,33+,34+,35+,36+,37+,38+/m1/s1
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