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Substance Name: Magainin II(d)
RN: 113078-21-0
InChIKey: DZZRQKJVJCITIG-VQQILLRZSA-N

Molecular Formula

  • C98-H151-N25-O25-S

Molecular Weight

  • 2111.4869
 
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Names and Synonyms

Results Name

  • Magainin II(d)

Synonym

  • Magainin IId

Systematic Name

  • Magainin I, 1-deglycine-2-de-L-isoleucine-3-deglycine-4-de-L-lysine-10-L-lysine-22-L-asparagine-

Registry Numbers

CAS Registry Number

  • 113078-21-0

System Generated Number

  • 0113078210

Structure Descriptors

InChI

1S/C98H151N25O25S/c1-10-56(6)81(97(146)114-68(37-41-149-9)89(138)119-73(47-76(103)126)93(142)121-75(52-125)98(147)148)123-90(139)67(35-36-79(129)130)111-78(128)50-106-96(145)80(55(4)5)122-94(143)71(45-61-30-18-13-19-31-61)115-83(132)58(8)108-86(135)64(32-20-23-38-99)110-77(127)49-105-85(134)70(44-60-28-16-12-17-29-60)117-88(137)66(34-22-25-40-101)113-87(136)65(33-21-24-39-100)112-82(131)57(7)109-95(144)74(51-124)120-92(141)72(46-62-48-104-53-107-62)118-91(140)69(42-54(2)3)116-84(133)63(102)43-59-26-14-11-15-27-59/h11-19,26-31,48,53-58,63-75,80-81,124-125H,10,20-25,32-47,49-52,99-102H2,1-9H3,(H2,103,126)(H,104,107)(H,105,134)(H,106,145)(H,108,135)(H,109,144)(H,110,127)(H,111,128)(H,112,131)(H,113,136)(H,114,146)(H,115,132)(H,116,133)(H,117,137)(H,118,140)(H,119,138)(H,120,141)(H,121,142)(H,122,143)(H,123,139)(H,129,130)(H,147,148)/t56-,57-,58-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,80-,81-/m0/s1

InChIKey

DZZRQKJVJCITIG-VQQILLRZSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc4ccccc4)C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)O