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Biotin-pTH (44-68) (human)

CAT: 1410-M40386Size: 1 EachDry Ice: NoHazardous: No
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Description
Biotin-pTH (44-68) (human)
CAS Number
198341-96-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
———
Molecular Formula
———
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Biotinyl-RDAGSQRPR KKEDNVLVESHEKSLG-OH
CAS Number198341-96-7
PubChem CID172641369
IUPAC Name4-[[6-amino-2-[[6-amino-2-[[2-[[1-[2-[[5-amino-2-[[2-[[2-[2-[[2-[[5-carbamimidamido-2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]pentanoyl]amino]-3-carboxypropanoyl]amino]propanoylamino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-[[1-[[4-amino-1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[1-[[1-(carboxymethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC127H213N43O43S
Molecular Weight3062.4
XLogP-21.3
Topological Polar Surface Area1450
Hydrogen Bond Donor Count50
Hydrogen Bond Acceptor Count51
Rotatable Bond Count110
Heavy Atom Count214
Formal Charge0
Complexity7060
SMILES
CC(C)CC(C(=O)NCC(=O)O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CNC=N1)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C2CCCN2C(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)CNC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)CCCCC3C4C(CS3)NC(=O)N4
InChI
InChI=1S/C127H213N43O43S/c1-60(2)46-76(102(191)144-54-97(188)189)158-118(207)83(56-172)164-107(196)69(24-14-17-41-130)151-108(197)72(32-36-92(178)179)153-113(202)78(48-65-52-139-59-145-65)159-119(208)84(57-173)165-111(200)74(34-38-94(182)183)156-121(210)98(62(5)6)167-115(204)77(47-61(3)4)163-122(211)99(63(7)8)168-116(205)79(49-89(132)175)160-114(203)81(51-96(186)187)162-110(199)73(33-37-93(180)181)152-105(194)68(23-13-16-40-129)149-104(193)67(22-12-15-39-128)150-106(195)70(26-19-43-141-125(135)136)155-120(209)86-28-21-45-170(86)123(212)75(27-20-44-142-126(137)138)157-109(198)71(31-35-88(131)174)154-117(206)82(55-171)148-91(177)53-143-101(190)64(9)146-112(201)80(50-95(184)185)161-103(192)66(25-18-42-140-124(133)134)147-90(176)30-11-10-29-87-100-85(58-214-87)166-127(213)169-100/h52,59-64,66-87,98-100,171-173H,10-51,53-58,128-130H2,1-9H3,(H2,131,174)(H2,132,175)(H,139,145)(H,143,190)(H,144,191)(H,146,201)(H,147,176)(H,148,177)(H,149,193)(H,150,195)(H,151,197)(H,152,194)(H,153,202)(H,154,206)(H,155,209)(H,156,210)(H,157,198)(H,158,207)(H,159,208)(H,160,203)(H,161,192)(H,162,199)(H,163,211)(H,164,196)(H,165,200)(H,167,204)(H,168,205)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,188,189)(H4,133,134,140)(H4,135,136,141)(H4,137,138,142)(H2,166,169,213)
InChIKey
KNZJHLRCXUSTMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Biotinyl-RDAGSQRPR KKEDNVLVESHEKSLG-OH
CAS: 198341-96-7
CID: 172641369
Formula: C127H213N43O43S
MW: 3062.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3062.4
XLogP3-21.3
Hydrogen Bond Donor Count50
Hydrogen Bond Acceptor Count51
Rotatable Bond Count110
Exact Mass3061.5556686
Monoisotopic Mass3060.5523138
Topological Polar Surface Area1450 Ų
Heavy Atom Count214
Formal Charge0
Complexity7060
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count26
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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