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Substance Name: Apidaecin Ia
RN: 123081-48-1
InChIKey: DOHIZXBJKLFYHI-BVJPZTDTSA-N

Molecular Formula

  • C95-H150-N32-O23

Molecular Weight

  • 2108.431
 
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Names and Synonyms

Results Name

  • Apidaecin Ia

Synonym

  • Apidaecin HbIa (honey bee)

Systematic Names

  • Apidaecin Ia
  • L-Isoleucine, glycyl-L-asparaginyl-L-asparaginyl-L-arginyl-L-prolyl-L-valyl-L-tyrosyl-L-isoleucyl-L-prolyl-L-glutaminyl-L-prolyl-L-arginyl-L-prolyl-L-prolyl-L-histidyl-L-prolyl-L-arginyl-

Registry Numbers

CAS Registry Number

  • 123081-48-1

Other Registry Number

  • 124089-89-0

System Generated Number

  • 0123081481

Structure Descriptors

InChI

1S/C95H150N32O23/c1-7-50(5)74(120-79(136)59(42-52-27-29-54(128)30-28-52)117-85(142)73(49(3)4)119-84(141)67-25-14-37-123(67)86(143)56(19-10-34-108-94(102)103)113-78(135)61(45-71(99)131)116-77(134)60(44-70(98)130)111-72(132)46-96)91(148)126-40-16-24-66(126)82(139)115-58(31-32-69(97)129)88(145)122-36-12-22-64(122)81(138)114-57(20-11-35-109-95(104)105)87(144)127-41-17-26-68(127)90(147)125-39-15-23-65(125)83(140)118-62(43-53-47-106-48-110-53)89(146)124-38-13-21-63(124)80(137)112-55(18-9-33-107-93(100)101)76(133)121-75(92(149)150)51(6)8-2/h27-30,47-51,55-68,73-75,128H,7-26,31-46,96H2,1-6H3,(H2,97,129)(H2,98,130)(H2,99,131)(H,106,110)(H,111,132)(H,112,137)(H,113,135)(H,114,138)(H,115,139)(H,116,134)(H,117,142)(H,118,140)(H,119,141)(H,120,136)(H,121,133)(H,149,150)(H4,100,101,107)(H4,102,103,108)(H4,104,105,109)/t50-,51-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-,74-,75-/m0/s1

InChIKey

DOHIZXBJKLFYHI-BVJPZTDTSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)[C@H](Cc7ccc(O)cc7)NC(=O)[C@@H](NC(=O)[C@@H]8CCCN8C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)O