leconotide

More details:

• Systematic name

  {(1S,4S,7S,10S,13S,16S,19S,22R,27R,30S,36S,39S,45S,48S,51S,57S,60R,65R,68S,71S,74S,80S,83S)-65-Amino-7,68,74,83-tetrakis(4-aminobutyl)-30-(3-carbamimidamidopropyl)-27-carbamoyl-16-(4-hydroxybenzyl)-39 -[(1R)-1-hydroxyethyl]-4,45,51,57,71-pentakis(hydroxymethyl)-10-isobutyl-36-isopropyl-80-methyl-13-[2-(methylsulfanyl)ethyl]-2,5,8,11,14,17,20,29,32,35,38,41,44,47,50,53,56,59,66,69,72,75,78,81,84,91- hexacosaoxo-24,25,62,63,87,88-hexathia-3,6,9,12,15,18,21,28,31,34,37,40,43,46,49,52,55,58,67,70,73,76,79,82,85,90-hexacosaazatricyclo[46.37.4.2~22,60~]hennonacont-19-yl}acetic acid

• SMILES

  C[C@H]1C(=O)N[C@H](C(=O)N[C@@H]2CSSC[C@@H]3C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1)CCCCN)CO)CCCCN)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N3)CO)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)CCCCN)CC(C)C)CCSC)Cc4ccc(cc4)O)CC(=O)O)C(=O)N)CCCNC(=N)N)C(C)C)[C@@H](C)O)CO)CCCCN

• Std. InChi

  InChI=1S/C107H179N35O36S7/c1-51(2)33-64-95(167)128-63(26-32-179-7)94(166)130-65(34-55-22-24-56(149)25-23-55)96(168)131-66(35-81(154)155)97(169)138-76-50-183-181-46-72(84(113)156)136-90(162)59(21-16-31-116-107(114)115)122-78(151)38-120-105(177)82(52(3)4)142-106(178)83(54(6)148)141-80(153)39-119-89(161)68(41-144)132-101(173)74-49-185-184-48-73(103(175)135-71(44-147)100(172)127-62(91(163)129-64)20-11-15-30-111)137-93(165)60(18-9-13-28-109)124-85(157)53(5)121-77(150)36-117-87(159)58(17-8-12-27-108)126-99(171)70(43-146)134-92(164)61(19-10-14-29-110)125-86(158)57(112)45-180-182-47-75(140-104(76)176)102(174)133-67(40-143)88(160)118-37-79(152)123-69(42-145)98(170)139-74/h22-25,51-54,57-76,82-83,143-149H,8-21,26-50,108-112H2,1-7H3,(H2,113,156)(H,117,159)(H,118,160)(H,119,161)(H,120,177)(H,121,150)(H,122,151)(H,123,152)(H,124,157)(H,125,158)(H,126,171)(H,127,172)(H,128,167)(H,129,163)(H,130,166)(H,131,168)(H,132,173)(H,133,174)(H,134,164)(H,135,175)(H,136,162)(H,137,165)(H,138,169)(H,139,170)(H,140,176)(H,141,153)(H,142,178)(H,154,155)(H4,114,115,116)/t53-,54+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,74+,75-,76-,82-,83-/m0/s1

• Std. InChIKey

  ADENSMWIRGSFRS-PQEUKHQTSA-N

• Cite this record

  CSID:44241188, http://www.chemspider.com/Chemical-Structure.44241188.html (accessed 01:44, May 15, 2024)