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Substance Name: bombinin-like peptide-2, Bombina orientalis
RN: 138220-01-6
InChIKey: GUTYFGTZDYFRHX-JGKRARPPSA-N

Molecular Formula

  • C115-H194-N34-O33

Molecular Weight

  • 2581.0026
 
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Names and Synonyms

Name of Substance

  • bombinin-like peptide-2, Bombina orientalis

Synonym

  • BLP-2

Systematic Name

  • L-Aspartamide, glycyl-L-isoleucylglycyl-L-seryl-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-L-phenylalanyl-L-alanyl-

Registry Numbers

CAS Registry Number

  • 138220-01-6

System Generated Number

  • 0138220016

Structure Descriptors

InChI

1S/C115H194N34O33/c1-19-61(11)92(147-86(154)47-119)114(181)126-52-90(158)137-82(53-150)111(178)133-67(17)98(165)148-93(62(12)20-2)115(182)144-78(43-60(9)10)108(175)146-84(55-152)112(179)128-63(13)94(161)123-49-87(155)134-74(34-26-29-39-118)103(170)145-83(54-151)113(180)132-66(16)96(163)140-77(42-59(7)8)107(174)139-73(33-25-28-38-117)102(169)125-51-89(157)135-75(40-57(3)4)104(171)129-64(14)95(162)138-72(32-24-27-37-116)101(168)124-50-88(156)136-76(41-58(5)6)105(172)131-68(18)99(166)149-110(177)81(46-91(159)160)141-97(164)65(15)130-106(173)79(44-69-30-22-21-23-31-69)143-109(176)80(45-70-48-122-56-127-70)142-100(167)71(120)35-36-85(121)153/h21-23,30-31,48,56-68,70-84,92-93,150-152H,19-20,24-29,32-47,49-55,116-120H2,1-18H3,(H2,121,153)(H,123,161)(H,124,168)(H,125,169)(H,126,181)(H,128,179)(H,129,171)(H,130,173)(H,131,172)(H,132,180)(H,133,178)(H,134,155)(H,135,157)(H,136,156)(H,137,158)(H,138,162)(H,139,174)(H,140,163)(H,141,164)(H,142,167)(H,143,176)(H,144,182)(H,145,170)(H,146,175)(H,147,154)(H,148,165)(H,159,160)(H,149,166,177)/t61-,62-,63-,64-,65-,66-,67-,68-,70?,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,92-,93-/m0/s1

InChIKey

GUTYFGTZDYFRHX-JGKRARPPSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CO)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)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC2C=NC=N2)NC(=O)[C@H](CCC(=O)N)N)NC(=O)CN