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Tat-SERT-15C

CAT: 0804-HY-P11222Size: 1 EachDry Ice: NoHazardous: No
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Description
Tat-SERT-15C is a peptide. Tat-SERT-15C decreases the SERT-nNOS complex and increases SERT. Tat-SERT-15C reverses chronic unpredictable mild stress-caused depression behaviors[1].
CAS Number
2614435-43-5
UNSPSC
12352209
Target
NO Synthase; Serotonin Transporter
Related Pathways
Immunology/Inflammation; Neuronal Signaling
Field of Research
Neurological Disease
Smiles
O=C(NCC(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H]([C@H](O)C)C(N1[C@@H](CCC1)C(N[C@@H]([C@H](O)C)C(N[C@@H](CCC(O)=O)C(N[C@@H]([C@@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](CS)C(NCC(N[C@@H](CC(O)=O)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCSC)C(N[C@@H](CC(N)=O)C(N[C@@H](C)C(N[C@@H](C(C)C)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CC3=CC=C(C=C3)O)N
Molecular Formula
C131H229N51O36S2
Molecular Weight
3158.67
References & Citations
[1]Sun N, et al. Design of fast-onset antidepressant by dissociating SERT from nNOS in the DRN. Science. 2022 Oct 28;378 (6618) :390-398.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Tat-SERT-15C
CAS Number2614435-43-5
PubChem CID177746415
IUPAC Name(4S)-4-[[(2S,3R)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-5-[[(2S,3S)-1-[(2S)-2-[[(2R)-1-[[2-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC131H229N51O36S2
Molecular Weight3158.7
XLogP-20.2
Topological Polar Surface Area1510
Hydrogen Bond Donor Count56
Hydrogen Bond Acceptor Count48
Rotatable Bond Count115
Heavy Atom Count220
Formal Charge0
Complexity7170
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)O)N
InChI
InChI=1S/C131H229N51O36S2/c1-11-65(5)97(120(213)172-80(33-22-53-156-130(147)148)111(204)171-84(45-57-220-10)113(206)174-85(59-91(136)187)116(209)160-67(7)101(194)176-96(64(3)4)124(217)218)177-117(210)86(60-95(192)193)162-93(189)62-159-103(196)87(63-219)175-118(211)88-35-24-55-181(88)122(215)98(66(6)12-2)178-115(208)83(42-44-94(190)191)173-121(214)99(68(8)183)179-119(212)89-36-25-56-182(89)123(216)100(69(9)184)180-114(207)81(34-23-54-157-131(149)150)169-109(202)77(30-19-50-153-127(141)142)166-108(201)78(31-20-51-154-128(143)144)168-112(205)82(41-43-90(135)186)170-110(203)79(32-21-52-155-129(145)146)167-107(200)76(29-18-49-152-126(139)140)165-106(199)75(27-14-16-47-133)164-105(198)74(26-13-15-46-132)163-104(197)73(28-17-48-151-125(137)138)161-92(188)61-158-102(195)72(134)58-70-37-39-71(185)40-38-70/h37-40,64-69,72-89,96-100,183-185,219H,11-36,41-63,132-134H2,1-10H3,(H2,135,186)(H2,136,187)(H,158,195)(H,159,196)(H,160,209)(H,161,188)(H,162,189)(H,163,197)(H,164,198)(H,165,199)(H,166,201)(H,167,200)(H,168,205)(H,169,202)(H,170,203)(H,171,204)(H,172,213)(H,173,214)(H,174,206)(H,175,211)(H,176,194)(H,177,210)(H,178,208)(H,179,212)(H,180,207)(H,190,191)(H,192,193)(H,217,218)(H4,137,138,151)(H4,139,140,152)(H4,141,142,153)(H4,143,144,154)(H4,145,146,155)(H4,147,148,156)(H4,149,150,157)/t65-,66-,67-,68+,69+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,96-,97-,98-,99-,100-/m0/s1
InChIKey
PZALWKOKWZONFJ-PPGUIRRHSA-N
Chemical Structure
2D Structure
2D structure of Tat-SERT-15C
CAS: 2614435-43-5
CID: 177746415
Formula: C131H229N51O36S2
MW: 3158.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3158.7
XLogP3-20.2
Hydrogen Bond Donor Count56
Hydrogen Bond Acceptor Count48
Rotatable Bond Count115
Exact Mass3157.7131300
Monoisotopic Mass3156.7097752
Topological Polar Surface Area1510 Ų
Heavy Atom Count220
Formal Charge0
Complexity7170
Isotope Atom Count0
Defined Atom Stereocenter Count28
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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