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Substance Name: bombinin-like peptide-3, Bombina orientalis
RN: 138220-02-7
InChIKey: FIYGHLYYOVFEJL-BUTJMFNXSA-N

Molecular Formula

  • C108-H183-N31-O29

Molecular Weight

  • 2379.8217
 
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Names and Synonyms

Name of Substance

  • bombinin-like peptide-3, Bombina orientalis

Synonym

  • BLP-3

Systematic Name

  • L-Phenylalaninamide, glycyl-L-isoleucylglycyl-L-alanyl-L-alanyl-L-isoleucyl-L-leucyl-L-seryl-L-alanylglycyl-L-lysyl-L-seryl-L-alanyl-L-leucyl-L-lysylglycyl-L-leucyl-L-alanyl-L-lysylglycyl-L-leucyl-L-alanyl-L-alpha-glutamyl-L-histidyl-

Registry Numbers

CAS Registry Number

  • 138220-02-7

System Generated Number

  • 0138220027

Structure Descriptors

InChI

1S/C108H183N31O29/c1-19-59(11)87(138-81(142)46-112)107(167)118-48-82(143)120-62(14)91(151)121-66(18)95(155)139-88(60(12)20-2)108(168)135-77(43-58(9)10)103(163)137-80(53-141)105(165)122-61(13)90(150)115-49-83(144)126-71(34-26-29-39-111)98(158)136-79(52-140)106(166)125-65(17)94(154)133-76(42-57(7)8)102(162)131-70(33-25-28-38-110)97(157)117-51-85(146)128-74(40-55(3)4)100(160)123-63(15)92(152)129-69(32-24-27-37-109)96(156)116-50-84(145)127-75(41-56(5)6)101(161)124-64(16)93(153)130-72(35-36-86(147)148)99(159)134-78(45-68-47-114-54-119-68)104(164)132-73(89(113)149)44-67-30-22-21-23-31-67/h21-23,30-31,47,54-66,68-80,87-88,140-141H,19-20,24-29,32-46,48-53,109-112H2,1-18H3,(H2,113,149)(H,115,150)(H,116,156)(H,117,157)(H,118,167)(H,120,143)(H,121,151)(H,122,165)(H,123,160)(H,124,161)(H,125,166)(H,126,144)(H,127,145)(H,128,146)(H,129,152)(H,130,153)(H,131,162)(H,132,164)(H,133,154)(H,134,159)(H,135,168)(H,136,158)(H,137,163)(H,138,142)(H,139,155)(H,147,148)/t59-,60-,61-,62-,63-,64-,65-,66-,68?,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,87-,88-/m0/s1

InChIKey

FIYGHLYYOVFEJL-BUTJMFNXSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1C=NC=N1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N)NC(=O)CN