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PTH (1-34) (bovine)

CAT: 0121-4011476.1000Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0121-4011476.1000Size:1 mg
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CAS Number
12583-68-5
Specifications
H-1660.1000
Synonyms
Parathyroid Hormone (1-34), bovine
Sequence
H-Ala-Val-Ser-Glu-Ile-Gln-Phe-Met-His-Asn-Leu-Gly-Lys-His-Leu-Ser-Ser-Met-Glu-Arg-Val-Glu-Trp-Leu-Arg-Lys-Lys-Leu-Gln-Asp-Val-His-Asn-Phe-OH
Molecular Formula
C₁₈₃H₂₈₈N₅₄O₅₀S₂
Molecular Weight
4108.77
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Parathyroid hormone (1-34), bovine

has different amino acid configuration from that of the same hormone peptide from humans

CAS Number12583-68-5
PubChem CID16132279
IUPAC Name(4S)-4-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC174H278N54O49S2
Molecular Weight3975
XLogP-18.6
Topological Polar Surface Area1740
Hydrogen Bond Donor Count58
Hydrogen Bond Acceptor Count60
Rotatable Bond Count141
Heavy Atom Count279
Formal Charge0
Complexity9360
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC5=CN=CN5)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)CN
InChI
InChI=1S/C174H278N54O49S2/c1-19-93(16)142(228-156(260)110(46-51-137(243)244)208-167(271)126(82-230)224-168(272)139(90(10)11)225-131(235)73-178)171(275)210-106(42-47-127(179)231)143(247)193-78-133(237)200-111(52-59-278-17)153(257)218-119(68-97-76-188-84-197-97)161(265)219-121(70-129(181)233)163(267)213-114(62-87(4)5)145(249)194-79-132(236)199-101(37-25-28-54-175)146(250)217-118(67-96-75-187-83-196-96)160(264)212-113(61-86(2)3)144(248)195-80-134(238)201-125(81-229)166(270)209-112(53-60-279-18)154(258)206-108(44-49-135(239)240)150(254)204-105(41-32-58-191-174(185)186)155(259)226-140(91(12)13)169(273)211-109(45-50-136(241)242)152(256)216-117(66-95-74-192-100-36-24-23-35-99(95)100)159(263)215-116(64-89(8)9)157(261)205-104(40-31-57-190-173(183)184)148(252)202-102(38-26-29-55-176)147(251)203-103(39-27-30-56-177)149(253)214-115(63-88(6)7)158(262)207-107(43-48-128(180)232)151(255)221-123(72-138(245)246)165(269)227-141(92(14)15)170(274)222-120(69-98-77-189-85-198-98)162(266)220-122(71-130(182)234)164(268)223-124(172(276)277)65-94-33-21-20-22-34-94/h20-24,33-36,74-77,83-93,101-126,139-142,192,229-230H,19,25-32,37-73,78-82,175-178H2,1-18H3,(H2,179,231)(H2,180,232)(H2,181,233)(H2,182,234)(H,187,196)(H,188,197)(H,189,198)(H,193,247)(H,194,249)(H,195,248)(H,199,236)(H,200,237)(H,201,238)(H,202,252)(H,203,251)(H,204,254)(H,205,261)(H,206,258)(H,207,262)(H,208,271)(H,209,270)(H,210,275)(H,211,273)(H,212,264)(H,213,267)(H,214,253)(H,215,263)(H,216,256)(H,217,250)(H,218,257)(H,219,265)(H,220,266)(H,221,255)(H,222,274)(H,223,268)(H,224,272)(H,225,235)(H,226,259)(H,227,269)(H,228,260)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,276,277)(H4,183,184,190)(H4,185,186,191)/t93-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,139-,140-,141-,142-/m0/s1
InChIKey
BHCZZGBILISWFT-KANWXXSKSA-N
Chemical Structure
2D Structure
2D structure of Parathyroid hormone (1-34), bovine
CAS: 12583-68-5
CID: 16132279
Formula: C174H278N54O49S2
MW: 3975
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3975
XLogP3-18.6
Hydrogen Bond Donor Count58
Hydrogen Bond Acceptor Count60
Rotatable Bond Count141
Exact Mass3973.0396686
Monoisotopic Mass3972.0363138
Topological Polar Surface Area1740 Ų
Heavy Atom Count279
Formal Charge0
Complexity9360
Isotope Atom Count0
Defined Atom Stereocenter Count31
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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