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(Phe¹³, Tyr¹⁹) -MCH (human, mouse, rat)

CAT: 0121-4026028.1000Size: 1 mgDry Ice: NoHazardous: No
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CAS Number
160201-86-5
Specifications
H-2218.1000
Synonyms
(Phe¹³, Tyr¹⁹) -Melanin-Concentrating Hormone (MCH) (human, mouse, rat)
Sequence
H-Asp-Phe-Asp-Met-Leu-Arg-Cys-Met-Leu-Gly-Arg-Val-Phe-Arg-Pro-Cys-Trp-Gln-Tyr-OH
Molecular Formula
C₁₀₉H₁₆₀N₃₀O₂₆S₄
Molecular Weight
2434.92
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

H-Asp-Phe-Asp-Met-Leu-Arg-Cys(1)-Met-Leu-Gly-Arg-Val-Phe-Arg-Pro-Cys(1)-Trp-Gln-Tyr-OH
CAS Number160201-86-5
PubChem CID24868192
IUPAC Name(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(3S,6S,9S,12S,18S,21S,24R,29R,32S)-29-[[(2S)-1-[[(2S)-5-amino-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-6-benzyl-3,12-bis(3-carbamimidamidopropyl)-18-(2-methylpropyl)-21-(2-methylsulfanylethyl)-2,5,8,11,14,17,20,23,31-nonaoxo-9-propan-2-yl-26,27-dithia-1,4,7,10,13,16,19,22,30-nonazabicyclo[30.3.0]pentatriacontan-24-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Molecular FormulaC109H160N30O26S4
Molecular Weight2434.9
XLogP-2.3
Topological Polar Surface Area1020
Hydrogen Bond Donor Count33
Hydrogen Bond Acceptor Count34
Rotatable Bond Count60
Heavy Atom Count169
Formal Charge0
Complexity5240
SMILES
CC(C)C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)N)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)O)CCCNC(=N)N)CC7=CC=CC=C7)C(C)C)CCCNC(=N)N
InChI
InChI=1S/C109H160N30O26S4/c1-57(2)45-74-90(148)122-54-85(142)123-68(27-17-39-118-107(112)113)95(153)138-88(59(5)6)104(162)134-77(48-61-23-13-10-14-24-61)97(155)128-73(29-19-41-120-109(116)117)105(163)139-42-20-30-83(139)103(161)137-82(102(160)132-78(50-63-53-121-67-26-16-15-25-65(63)67)99(157)125-70(35-36-84(111)141)92(150)135-80(106(164)165)49-62-31-33-64(140)34-32-62)56-169-168-55-81(101(159)127-72(38-44-167-8)93(151)130-74)136-91(149)69(28-18-40-119-108(114)115)124-96(154)75(46-58(3)4)131-94(152)71(37-43-166-7)126-100(158)79(52-87(145)146)133-98(156)76(47-60-21-11-9-12-22-60)129-89(147)66(110)51-86(143)144/h9-16,21-26,31-34,53,57-59,66,68-83,88,121,140H,17-20,27-30,35-52,54-56,110H2,1-8H3,(H2,111,141)(H,122,148)(H,123,142)(H,124,154)(H,125,157)(H,126,158)(H,127,159)(H,128,155)(H,129,147)(H,130,151)(H,131,152)(H,132,160)(H,133,156)(H,134,162)(H,135,150)(H,136,149)(H,137,161)(H,138,153)(H,143,144)(H,145,146)(H,164,165)(H4,112,113,118)(H4,114,115,119)(H4,116,117,120)/t66-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,88-/m0/s1
InChIKey
RNCHKGYTHALNQH-SLTNFGAISA-N
Chemical Structure
2D Structure
2D structure of H-Asp-Phe-Asp-Met-Leu-Arg-Cys(1)-Met-Leu-Gly-Arg-Val-Phe-Arg-Pro-Cys(1)-Trp-Gln-Tyr-OH
CAS: 160201-86-5
CID: 24868192
Formula: C109H160N30O26S4
MW: 2434.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2434.9
XLogP3-2.3
Hydrogen Bond Donor Count33
Hydrogen Bond Acceptor Count34
Rotatable Bond Count60
Exact Mass2434.1036449
Monoisotopic Mass2433.1002900
Topological Polar Surface Area1020 Ų
Heavy Atom Count169
Formal Charge0
Complexity5240
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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