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M1145

CAT: 0931-TP1991-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TP1991-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1172089-00-7
Target
Neuropeptide Y Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Bioactivity
Potent and selective galanin receptor 2 (GAL2) agonist (EC50 = 38 nM, Ki values are 6.55, 497 and 587 nM at GAL2, GAL3 and GAL1 respectively) . Has an additive effect on the signal transduction of galanin.
Smiles
C(=O)(N1[C@H](C(=O)N2[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N)=O)C)=O)CC(C)C)=O)C)=O)CC(C)C)=O)C)=O)CCC2)CCC1)[C@H]3N(C([C@@H](NC([C@@H](NC(=O)[C@H]4N(C(CNC([C@@H](NC([C@@H](NC([C@H](CC5=CC=C(O)C=C5)NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC=6C=7C(NC6)=CC=CC7)NC([C@@H](NC(CNC([C@@H](NC(CNC([C@H](CCCNC(=N)N)N)=O)=O)CCCNC(=N)N)=O)=O)CC(N)=O)=O)=O)[C@@H](C)O)=O)CC(C)C)=O)CC(N)=O)=O)CO)=O)C)=O)=O)=O)CC(C)C)=O)CC(C)C)=O)=O)CCC4)[C@H](C)C)=O)CC(C)C)=O)CCC3
Molecular Formula
C128H205N37O32
Molecular Weight
2774.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Arg-Gly-Arg-Gly-Asn-Trp-Thr-Leu-Asn-Ser-Ala-Gly-Tyr-Leu-Leu-Gly-Pro-Val-Leu-Pro-Pro-Pro-Ala-Leu-Ala-Leu-Ala-NH2
CAS Number1172089-00-7
PubChem CID71744999
IUPAC Name(2S)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]butanediamide
Molecular FormulaC128H205N37O32
Molecular Weight2774.2
XLogP-2.9
Topological Polar Surface Area1080
Hydrogen Bond Donor Count36
Hydrogen Bond Acceptor Count35
Rotatable Bond Count82
Heavy Atom Count197
Formal Charge0
Complexity6480
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)N)O
InChI
InChI=1S/C128H205N37O32/c1-62(2)46-81(110(181)143-60-101(174)162-42-24-32-92(162)121(192)160-102(68(13)14)122(193)158-90(51-67(11)12)124(195)164-44-26-34-94(164)126(197)165-45-27-35-95(165)125(196)163-43-25-33-93(163)120(191)147-72(18)107(178)152-83(48-64(5)6)112(183)146-71(17)106(177)151-82(47-63(3)4)111(182)144-69(15)104(132)175)153-113(184)84(49-65(7)8)154-115(186)86(52-74-36-38-76(168)39-37-74)149-99(172)57-140-105(176)70(16)145-119(190)91(61-166)159-117(188)89(55-97(131)170)156-114(185)85(50-66(9)10)157-123(194)103(73(19)167)161-118(189)87(53-75-56-139-79-30-21-20-28-77(75)79)155-116(187)88(54-96(130)169)150-100(173)59-142-109(180)80(31-23-41-138-128(135)136)148-98(171)58-141-108(179)78(129)29-22-40-137-127(133)134/h20-21,28,30,36-39,56,62-73,78,80-95,102-103,139,166-168H,22-27,29,31-35,40-55,57-61,129H2,1-19H3,(H2,130,169)(H2,131,170)(H2,132,175)(H,140,176)(H,141,179)(H,142,180)(H,143,181)(H,144,182)(H,145,190)(H,146,183)(H,147,191)(H,148,171)(H,149,172)(H,150,173)(H,151,177)(H,152,178)(H,153,184)(H,154,186)(H,155,187)(H,156,185)(H,157,194)(H,158,193)(H,159,188)(H,160,192)(H,161,189)(H4,133,134,137)(H4,135,136,138)/t69-,70-,71-,72-,73+,78-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,102-,103-/m0/s1
InChIKey
XIHYPTIVAPJZFP-HEPWHOECSA-N
Chemical Structure
2D Structure
2D structure of H-Arg-Gly-Arg-Gly-Asn-Trp-Thr-Leu-Asn-Ser-Ala-Gly-Tyr-Leu-Leu-Gly-Pro-Val-Leu-Pro-Pro-Pro-Ala-Leu-Ala-Leu-Ala-NH2
CAS: 1172089-00-7
CID: 71744999
Formula: C128H205N37O32
MW: 2774.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2774.2
XLogP3-2.9
Hydrogen Bond Donor Count36
Hydrogen Bond Acceptor Count35
Rotatable Bond Count82
Exact Mass2773.5584923
Monoisotopic Mass2772.5551375
Topological Polar Surface Area1080 Ų
Heavy Atom Count197
Formal Charge0
Complexity6480
Isotope Atom Count0
Defined Atom Stereocenter Count24
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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