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Substance Name: Magainin II, 23-L-serinamide- 23
RN: 114317-44-1
InChIKey: ORGGGDVDSPTBAO-ZVRPPPBVSA-N

Molecular Formula

  • C114-H181-N31-O28-S

Molecular Weight

  • 2465.94
 
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Names and Synonyms

  • Magainin II, 23-L-serinamide- 23

Registry Numbers

CAS Registry Number

  • 114317-44-1

System Generated Number

  • 0114317441

Structure Descriptors

InChI

1S/C114H181N31O28S/c1-11-31-73(99(158)123-58-91(151)131-78(42-43-93(153)154)106(165)145-95(66(7)13-3)114(173)135-79(44-49-174-10)105(164)141-85(55-88(120)148)111(170)142-86(61-146)96(121)155)133-108(167)82(52-70-34-19-15-20-35-70)136-98(157)68(9)127-101(160)74(38-23-27-45-115)129-90(150)59-124-100(159)81(51-69-32-17-14-18-33-69)138-104(163)77(41-26-30-48-118)134-103(162)76(40-25-29-47-117)132-97(156)67(8)128-112(171)87(62-147)143-110(169)84(54-72-57-122-63-126-72)140-107(166)80(50-64(4)5)137-109(168)83(53-71-36-21-16-22-37-71)139-102(161)75(39-24-28-46-116)130-92(152)60-125-113(172)94(65(6)12-2)144-89(149)56-119/h14-22,32-37,57,63-68,73-87,94-95,146-147H,11-13,23-31,38-56,58-62,115-119H2,1-10H3,(H2,120,148)(H2,121,155)(H,122,126)(H,123,158)(H,124,159)(H,125,172)(H,127,160)(H,128,171)(H,129,150)(H,130,152)(H,131,151)(H,132,156)(H,133,167)(H,134,162)(H,135,173)(H,136,157)(H,137,168)(H,138,163)(H,139,161)(H,140,166)(H,141,164)(H,142,170)(H,143,169)(H,144,149)(H,145,165)(H,153,154)/t65-,66-,67-,68-,73-,74-,75-,76-,77-,78-,79?,80-,81-,82-,83?,84-,85-,86-,87-,94-,95-/m0/s1

InChIKey

ORGGGDVDSPTBAO-ZVRPPPBVSA-N

Smiles

C(CCCN)[C@@H](C(=O)N[C@H](C(NCC(N[C@@H](CCCCN)C(=O)N[C@H](C(N[C@H](C(N[C@H](C(=O)NCC(N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@@H](CCSC)C(N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)CO)=O)=O)CCC)=O)Cc1ccccc1)=O)C)=O)=O)Cc1ccccc1)NC([C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC([C@H](Cc1cnc[nH]1)NC([C@@H](NC(=O)[C@@H](Cc1ccccc1)NC([C@H](CCCCN)NC(CNC([C@H]([C@H](CC)C)NC(=O)CN)=O)=O)=O)CC(C)C)=O)=O)=O