(4R,7S,10S,13S,16R,19S,22S,25S)-25-Acetamido-13-(4-aminobutyl)-7,19,22-tribenzyl-10-[(1R)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptaazacyc lopentacosane-4-carboxylic acid

More details:

• Systematic name

  (4R,7S,10S,13S,16R,19S,22S,25S)-25-acetamido-13-(4-aminobutyl)-7,19,22-tribenzyl-10-[(1R)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclopentacosane-4-carboxylic acid

• SMILES

  C[C@H]([C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSS[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)Cc2c[nH]c3c2cccc3)Cc4ccccc4)Cc5ccccc5)NC(=O)C)C(=O)O)Cc6ccccc6)O

• Std. InChi

  InChI=1S/C55H66N10O11S2/c1-32(66)46-52(73)62-42(27-35-18-8-4-9-19-35)50(71)64-45(55(75)76)31-77-78-54(58-33(2)67)53(74)63-43(28-36-20-10-5-11-21-36)49(70)60-41(26-34-16-6-3-7-17-34)48(69)61-44(29-37-30-57-39-23-13-12-22-38(37)39)51(72)59-40(47(68)65-46)24-14-15-25-56/h3-13,16-23,30,32,40-46,54,57,66H,14-15,24-29,31,56H2,1-2H3,(H,58,67)(H,59,72)(H,60,70)(H,61,69)(H,62,73)(H,63,74)(H,64,71)(H,65,68)(H,75,76)/t32-,40+,41+,42+,43+,44-,45+,46+,54+/m1/s1

• Std. InChIKey

  RAQDTMADXPAPBO-ACPZUUFISA-N

• Cite this record

  CSID:24721170, http://www.chemspider.com/Chemical-Structure.24721170.html (accessed 23:26, Apr 25, 2024)