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PTH (3-34) (bovine)

CAT: 1410-M40372Size: 1 EachDry Ice: NoHazardous: No
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Description
PTH (3-34) (bovine) is apTH ((Human parathyroid hormone) fragment.
CAS Number
51257-86-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
3938.55
Molecular Formula
C175H274N52O48S2
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Parathyroid hormone (3-34)
CAS Number51257-86-4
PubChem CID16131140
IUPAC Name(4S)-5-[[(2S,3S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[(4S)-5-[[(2S)-1-[(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]oxy-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-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxopentanoyl]oxy-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4H-imidazol-4-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]oxy-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC175H274N52O48S2
Molecular Weight3939
XLogP-14.7
Topological Polar Surface Area1700
Hydrogen Bond Donor Count51
Hydrogen Bond Acceptor Count62
Rotatable Bond Count142
Heavy Atom Count277
Formal Charge0
Complexity9570
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC2C=NC=N2)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)OC(=O)CC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)OC(=O)CC[C@@H](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)OC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC6C=NC=N6)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)N)NC(=O)[C@H](C(C)C)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC7C=NC=N7)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)N
InChI
InChI=1S/C175H274N52O48S2/c1-17-94(14)142(227-155(254)110(47-52-136(236)237)203-145(244)104(181)82-228)169(268)210-109(46-51-132(183)232)151(250)216-121(68-95-34-20-18-21-35-95)158(257)207-114(56-63-277-16)154(253)218-123(72-99-79-192-86-199-99)160(259)219-125(74-133(184)233)162(261)214-118(65-89(4)5)146(245)197-81-135(235)201-115(41-27-30-58-177)170(269)273-138(240)53-48-111(206-153(252)113(55-62-276-15)208-165(264)129(83-229)225-166(265)130(84-230)224-157(256)119(66-90(6)7)213-144(243)103(180)71-98-78-191-85-198-98)149(248)212-117(44-33-61-195-175(189)190)171(270)274-139(241)54-49-112(209-167(266)140(186)92(10)11)152(251)217-122(70-97-77-196-105-39-25-24-38-101(97)105)159(258)215-120(67-91(8)9)156(255)205-107(43-32-60-194-174(187)188)147(246)204-106(40-26-29-57-176)148(247)211-116(42-28-31-59-178)172(271)275-173(272)128(69-96-36-22-19-23-37-96)223-163(262)126(75-134(185)234)220-161(260)124(73-100-80-193-87-200-100)222-168(267)141(93(12)13)226-164(263)127(76-137(238)239)221-150(249)108(45-50-131(182)231)202-143(242)102(179)64-88(2)3/h18-25,34-39,77-80,85-94,98-100,102-104,106-130,140-142,196,228-230H,17,26-33,40-76,81-84,176-181,186H2,1-16H3,(H2,182,231)(H2,183,232)(H2,184,233)(H2,185,234)(H,197,245)(H,201,235)(H,202,242)(H,203,244)(H,204,246)(H,205,255)(H,206,252)(H,207,257)(H,208,264)(H,209,266)(H,210,268)(H,211,247)(H,212,248)(H,213,243)(H,214,261)(H,215,258)(H,216,250)(H,217,251)(H,218,253)(H,219,259)(H,220,260)(H,221,249)(H,222,267)(H,223,262)(H,224,256)(H,225,265)(H,226,263)(H,227,254)(H,236,237)(H,238,239)(H4,187,188,194)(H4,189,190,195)/t94-,98?,99?,100?,102-,103-,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,140-,141-,142-/m0/s1
InChIKey
QFVODVAZJVCZIQ-INNSVFCQSA-N
Chemical Structure
2D Structure
2D structure of Parathyroid hormone (3-34)
CAS: 51257-86-4
CID: 16131140
Formula: C175H274N52O48S2
MW: 3939
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3939
XLogP3-14.7
Hydrogen Bond Donor Count51
Hydrogen Bond Acceptor Count62
Rotatable Bond Count142
Exact Mass3937.0073059
Monoisotopic Mass3936.0039510
Topological Polar Surface Area1700 Ų
Heavy Atom Count277
Formal Charge0
Complexity9570
Isotope Atom Count0
Defined Atom Stereocenter Count32
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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