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Substance Name: Triakontatetraneuropeptide
RN: 120667-90-5
InChIKey: NMEHNETUFHBYEG-IHKSMFQHSA-N

Note

  • Major biologically active processing product of diazepam binding inhibitor.

Molecular Formula

  • C172-H268-N44-O56-S

Molecular Weight

  • 3880.33
 
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Names and Synonyms

Name of Substance

  • Triakontatetraneuropeptide

Synonyms

  • Dbi 17-50
  • Diazepam binding inhibitor 17-50
  • Rat brain triakontatreaneuropeptide
  • TTTN

Systematic Name

  • L-Lysine, L-threonyl-L-glutaminyl-L-propyl-L-threonyl-L-alpha-aspartyl-L-alpha-glutamyl-L-alpha-glutamyl-L-methionyl-L-leucyl-L-phenylalanyl-L-isoleucyl-L-tyrosyl-L-seryl-L-histidyl-L-phenylalanyl-L-lysyl-L-glutaminyl-L-alanyl-L-threonyl-L-valylglycyl-L-alpha-aspartyl-L-valyl-L-asparaginyl-L-threonyl-L-alpha-aspartyl-L-arginyl-L-propylglycyl-L-leucyl-L-leucyl-L-alpha-aspartyl-L-leucyl-

Registry Numbers

CAS Registry Number

  • 120667-90-5

System Generated Number

  • 0120667905

Structure Descriptors

InChI

1S/C172H268N44O56S/c1-21-87(14)136(211-156(256)112(68-94-37-26-23-27-38-94)201-148(248)108(65-83(6)7)197-145(245)102(56-62-273-20)193-144(244)100(50-54-127(228)229)191-143(243)101(51-55-128(230)231)192-153(253)117(74-131(236)237)206-167(267)138(91(18)220)214-161(261)121-43-34-61-216(121)170(270)104(49-53-123(176)224)195-162(262)133(178)89(16)218)165(265)204-111(69-95-44-46-97(222)47-45-95)151(251)208-119(79-217)159(259)202-113(70-96-76-181-80-185-96)152(252)200-110(67-93-35-24-22-25-36-93)150(250)189-98(39-28-30-57-173)142(242)190-99(48-52-122(175)223)141(241)186-88(15)140(240)212-139(92(19)221)168(268)210-134(85(10)11)163(263)184-78-126(227)188-115(72-129(232)233)158(258)209-135(86(12)13)164(264)205-114(71-124(177)225)157(257)213-137(90(17)219)166(266)207-118(75-132(238)239)154(254)194-103(41-32-59-182-172(179)180)169(269)215-60-33-42-120(215)160(260)183-77-125(226)187-106(63-81(2)3)146(246)198-109(66-84(8)9)149(249)203-116(73-130(234)235)155(255)199-107(64-82(4)5)147(247)196-105(171(271)272)40-29-31-58-174/h22-27,35-38,44-47,76,80-92,98-121,133-139,217-222H,21,28-34,39-43,48-75,77-79,173-174,178H2,1-20H3,(H2,175,223)(H2,176,224)(H2,177,225)(H,181,185)(H,183,260)(H,184,263)(H,186,241)(H,187,226)(H,188,227)(H,189,250)(H,190,242)(H,191,243)(H,192,253)(H,193,244)(H,194,254)(H,195,262)(H,196,247)(H,197,245)(H,198,246)(H,199,255)(H,200,252)(H,201,248)(H,202,259)(H,203,249)(H,204,265)(H,205,264)(H,206,267)(H,207,266)(H,208,251)(H,209,258)(H,210,268)(H,211,256)(H,212,240)(H,213,257)(H,214,261)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,271,272)(H4,179,180,182)/t87-,88-,89+,90+,91+,92+,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,133-,134-,135-,136-,137-,138-,139-/m0/s1

InChIKey

NMEHNETUFHBYEG-IHKSMFQHSA-N

Smiles

N([C@H](C(=O)N[C@H](C(N[C@H](C(=O)N[C@H](C(=O)NCC(N[C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(=O)N1[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(O)=O)CCCCN)=O)CC(C)C)=O)CC(=O)O)=O)CC(C)C)=O)CC(C)C)=O)=O)CCC1)CCCNC(N)=N)=O)CC(=O)O)[C@H](O)C)=O)CC(=O)N)CC(=O)O)=O)C(C)C)[C@H](O)C)=O)C)CCC(=O)N)C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@H]([C@H](O)C)N)=O)CCC(=O)N)=O)=O)[C@H](O)C)=O)CC(=O)O)=O)CCC(=O)O)=O)CCC(=O)O)=O)CCSC)=O)CC(C)C)=O)Cc1ccccc1)=O)[C@@H](C)CC)=O)Cc1ccc(O)cc1)=O)CO)=O)Cc1cnc[nH]1)=O)Cc1ccccc1)=O)CCCCN)=O