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(Des-His¹) -Glucagon

CAT: 0121-4090288.2002Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0121-4090288.2002Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
34874-69-6
Synonyms
Glucagon (2-29)
Sequence
H-Ser-Gln-Gly-Thr-Phe-Thr-Ser-Asp-Tyr-Ser-Lys-Tyr-Leu-Asp-Ser-Arg-Arg-Ala-Gln-Asp-Phe-Val-Gln-Trp-Leu-Met-Asn-Thr-OH
Molecular Formula
C₁₄₇H₂₁₈N₄₀O₄₈S
Molecular Weight
3345.66
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

2-29-Glucagon (swine)
CAS Number34874-69-6
PubChem CID16152676
IUPAC Name(3S)-3-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Molecular FormulaC147H218N40O48S
Molecular Weight3345.6
XLogP-16.5
Topological Polar Surface Area1510
Hydrogen Bond Donor Count53
Hydrogen Bond Acceptor Count53
Rotatable Bond Count111
Heavy Atom Count236
Formal Charge0
Complexity7780
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)N)O
InChI
InChI=1S/C147H218N40O48S/c1-69(2)52-93(128(217)168-92(47-51-236-11)127(216)176-100(59-110(153)200)138(227)187-118(75(10)194)145(234)235)171-132(221)99(58-80-63-160-85-29-19-18-28-83(80)85)175-126(215)91(43-46-109(152)199)169-142(231)115(71(5)6)185-136(225)97(54-76-24-14-12-15-25-76)174-133(222)101(60-112(202)203)177-125(214)90(42-45-108(151)198)163-119(208)72(7)162-122(211)87(31-22-49-158-146(154)155)165-123(212)88(32-23-50-159-147(156)157)167-140(229)105(67-190)182-135(224)103(62-114(206)207)178-129(218)94(53-70(3)4)170-130(219)95(56-78-33-37-81(195)38-34-78)172-124(213)86(30-20-21-48-148)166-139(228)104(66-189)181-131(220)96(57-79-35-39-82(196)40-36-79)173-134(223)102(61-113(204)205)179-141(230)106(68-191)183-144(233)117(74(9)193)186-137(226)98(55-77-26-16-13-17-27-77)180-143(232)116(73(8)192)184-111(201)64-161-121(210)89(41-44-107(150)197)164-120(209)84(149)65-188/h12-19,24-29,33-40,63,69-75,84,86-106,115-118,160,188-196H,20-23,30-32,41-62,64-68,148-149H2,1-11H3,(H2,150,197)(H2,151,198)(H2,152,199)(H2,153,200)(H,161,210)(H,162,211)(H,163,208)(H,164,209)(H,165,212)(H,166,228)(H,167,229)(H,168,217)(H,169,231)(H,170,219)(H,171,221)(H,172,213)(H,173,223)(H,174,222)(H,175,215)(H,176,216)(H,177,214)(H,178,218)(H,179,230)(H,180,232)(H,181,220)(H,182,224)(H,183,233)(H,184,201)(H,185,225)(H,186,226)(H,187,227)(H,202,203)(H,204,205)(H,206,207)(H,234,235)(H4,154,155,158)(H4,156,157,159)/t72-,73+,74+,75+,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,115-,116-,117-,118-/m0/s1
InChIKey
KLEIVLATCMJOQQ-TUHNHPIHSA-N
Chemical Structure
2D Structure
2D structure of 2-29-Glucagon (swine)
CAS: 34874-69-6
CID: 16152676
Formula: C147H218N40O48S
MW: 3345.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3345.6
XLogP3-16.5
Hydrogen Bond Donor Count53
Hydrogen Bond Acceptor Count53
Rotatable Bond Count111
Exact Mass3344.5601449
Monoisotopic Mass3343.5567900
Topological Polar Surface Area1510 Ų
Heavy Atom Count236
Formal Charge0
Complexity7780
Isotope Atom Count0
Defined Atom Stereocenter Count30
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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