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Substance Name: Adenoregulin
RN: 149260-68-4
InChIKey: PYGMIKHWUKCELA-HODHKHPLSA-N

Note

  • From the skin of arboreal frog Phyllomedusa bicolor.

Molecular Formula

  • C142-H242-N40-O42

Molecular Weight

  • 3181.71
 
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Names and Synonyms

Name of Substance

  • Adenoregulin

Systematic Name

  • L-Valine, glycyl-L-leucyl-L-tryptophyl-L-seryl-L-lysyl-L-isoleucyl-L-lysyl-L-alpha-glutamyl-L-valylglycyl-L-lysyl-L-alpha-glutamyl-L-alanyl-L-alanyl-L-lysyl-L-alanyl-L-alanyl-L-alanyl-L-lysyl-L-alanyl-L-alanylglycyl-L-lysyl-L-alanyl-L-alanyl-L-leucylglycyl-L-alanyl-L-valyl-L-seryl-L-alpha-L-glutamyl-L-alanyl-

Registry Numbers

CAS Registry Number

  • 149260-68-4

System Generated Number

  • 0149260684

Structure Descriptors

InChI

1S/C142H242N40O42/c1-24-74(12)113(182-133(214)94(46-32-38-58-148)170-137(218)101(67-183)177-136(217)100(61-86-63-150-88-40-26-25-39-87(86)88)176-135(216)99(60-70(4)5)167-103(185)62-149)141(222)174-93(45-31-37-57-147)132(213)172-97(49-52-109(193)194)134(215)180-110(71(6)7)139(220)153-66-106(188)166-90(42-28-34-54-144)131(212)171-95(47-50-107(189)190)129(210)163-81(19)119(200)158-83(21)121(202)169-92(44-30-36-56-146)128(209)162-80(18)117(198)156-77(15)115(196)157-82(20)120(201)168-91(43-29-35-55-145)127(208)161-78(16)116(197)155-75(13)114(195)151-65-105(187)165-89(41-27-33-53-143)126(207)160-79(17)118(199)159-84(22)122(203)175-98(59-69(2)3)125(206)152-64-104(186)154-76(14)123(204)179-111(72(8)9)140(221)178-102(68-184)138(219)173-96(48-51-108(191)192)130(211)164-85(23)124(205)181-112(73(10)11)142(223)224/h25-26,39-40,63,69-85,89-102,110-113,150,183-184H,24,27-38,41-62,64-68,143-149H2,1-23H3,(H,151,195)(H,152,206)(H,153,220)(H,154,186)(H,155,197)(H,156,198)(H,157,196)(H,158,200)(H,159,199)(H,160,207)(H,161,208)(H,162,209)(H,163,210)(H,164,211)(H,165,187)(H,166,188)(H,167,185)(H,168,201)(H,169,202)(H,170,218)(H,171,212)(H,172,213)(H,173,219)(H,174,222)(H,175,203)(H,176,216)(H,177,217)(H,178,221)(H,179,204)(H,180,215)(H,181,205)(H,182,214)(H,189,190)(H,191,192)(H,193,194)(H,223,224)/t74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,110-,111-,112-,113-/m0/s1

InChIKey

PYGMIKHWUKCELA-HODHKHPLSA-N

Smiles

N(C([C@@H](NC(CN)=O)CC(C)C)=O)[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(O)=O)C(C)C)=O)C)CCC(=O)O)=O)CO)=O)C(C)C)=O)C)=O)=O)CC(C)C)C)C)CCCCN)=O)C)C)CCCCN)C)C)=O)C)CCCCN)=O)C)C)CCCCN)C(C)C)=O)CCC(=O)O)=O)CCCCN)=O)[C@@H](C)CC)=O)CCCCN)=O)CO)=O)Cc1c[nH]c2c1cccc2