CAS 122018-92-2 | L-Glutamic acid, L-phenylalanyl-L-isoleucyl-L-α-aspartyl-L-prolyl-L-α-glutamyl-L-leucyl-L-glutaminyl-L-arginyl-L-seryl-L-tryptophyl-L-α-glutamyl-L-α-glutamyl-L-lysyl-L-α-glutamylglycyl-L-α-glutamylglycyl-L-valyl-L-leucyl-L-methionyl-L-prolyl- | CAS Number 122018-92-2

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122018-92-2 | L-Glutamic acid, L-phenylalanyl-L-isoleucyl-L-α-aspartyl-L-prolyl-L-α-glutamyl-L-leucyl-L-glutaminyl-L-arginyl-L-seryl-L-tryptophyl-L-α-glutamyl-L-α-glutamyl-L-lysyl-L-α-glutamylglycyl-L-α-glutamylglycyl-L-valyl-L-leucyl-L-methionyl-L-prolyl-

CAS No: 122018-92-2 Catalog No: AG0016ME MDL No:

Product Description

Catalog Number:

AG0016ME

Chemical Name:

L-Glutamic acid, L-phenylalanyl-L-isoleucyl-L-α-aspartyl-L-prolyl-L-α-glutamyl-L-leucyl-L-glutaminyl-L-arginyl-L-seryl-L-tryptophyl-L-α-glutamyl-L-α-glutamyl-L-lysyl-L-α-glutamylglycyl-L-α-glutamylglycyl-L-valyl-L-leucyl-L-methionyl-L-prolyl-

CAS Number:

122018-92-2

Molecular Formula:

C116H176N28O39S

Molecular Weight:

2618.8678

IUPAC Name:

(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid

InChI:

InChI=1S/C116H176N28O39S/c1-10-61(8)95(142-96(163)65(118)51-62-21-12-11-13-22-62)112(179)139-80(53-93(161)162)114(181)144-47-20-27-82(144)109(176)133-74(34-41-91(157)158)104(171)136-77(49-58(2)3)105(172)131-71(29-36-84(119)146)101(168)128-68(26-18-45-122-116(120)121)100(167)140-81(57-145)108(175)137-79(52-63-54-123-66-24-15-14-23-64(63)66)107(174)132-73(33-40-90(155)156)103(170)130-72(32-39-89(153)154)102(169)127-67(25-16-17-44-117)99(166)129-70(31-38-88(151)152)98(165)124-55-85(147)126-69(30-37-87(149)150)97(164)125-56-86(148)141-94(60(6)7)111(178)138-78(50-59(4)5)106(173)134-75(43-48-184-9)113(180)143-46-19-28-83(143)110(177)135-76(115(182)183)35-42-92(159)160/h11-15,21-24,54,58-61,65,67-83,94-95,123,145H,10,16-20,25-53,55-57,117-118H2,1-9H3,(H2,119,146)(H,124,165)(H,125,164)(H,126,147)(H,127,169)(H,128,168)(H,129,166)(H,130,170)(H,131,172)(H,132,174)(H,133,176)(H,134,173)(H,135,177)(H,136,171)(H,137,175)(H,138,178)(H,139,179)(H,140,167)(H,141,148)(H,142,163)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H,159,160)(H,161,162)(H,182,183)(H4,120,121,122)/t61-,65-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,94-,95-/m0/s1

InChI Key:

ICAYDYVQHKWGMZ-VIAQXQIWSA-N

SMILES:

NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCC(=O)O)CCSC)CC(C)C)C(C)C)CCC(=O)O)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](Cc1ccccc1)N)CC(=O)O)CCC(=O)O)CC(C)C)CCC(=O)N)CCCNC(=N)N)CO)CCC(=O)O)CCC(=O)O

Properties

Complexity:

5950

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

2618.24g/mol

Formal Charge:

Heavy Atom Count:

184

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

2618.901g/mol

Monoisotopic Mass:

2617.237g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

1110A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-9.1

Literature

Title	Journal
Behavioral, hormonal and histological stress markers of anxiety-separation in postnatal rats are reduced by prepro-thyrotropin-releasing hormone 178-199.	Neuroscience letters 20020315
Prepro-thyrotropin-releasing hormone 178-199 increases sensitivity of AtT-20 cells to dexamethasone.	The Journal of endocrinology 20011201
Prepro-thyrotropin releasing hormone 178-199 immunoreactivity is altered in the hypothalamus of the Wistar-Kyoto strain of rat.	Brain research 20010921
PreproTRH(178-199) and two novel peptides (pFQ7 and pSE14) derived from its processing, which are produced in the paraventricular nucleus of the rat hypothalamus, are regulated during suckling.	Endocrinology 20010201