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Osteocalcin (37-49), human

CAT: 0804-HY-P3737Size: 1 EachDry Ice: NoHazardous: No
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Description
Osteocalcin (37-49), human is a peptide fragment of Osteocalcin. Osteocalcin (37-49), human has been used to detecte the intact human osteocalcin in HPLC purified plasma and peritoneal dialysate from patients with terminal renal insufficiency and in extracted human bone[1].
CAS Number
89458-24-2
UNSPSC
12352209
Target
Biochemical Assay Reagents
Type
Peptides
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/osteocalcin-37-49-human.html
Solubility
10 mM in DMSO
Smiles
OC(C=C1)=CC=C1C[C@H](NC([C@@H](NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC([C@@H](NC([C@H](C)NC([C@H](CCC(O)=O)NC([C@H](CCC(N)=O)NC([C@@H](NC(CN)=O)CC2=CC=CC=C2)=O)=O)=O)=O)CC3=CC=C(C=C3)O)=O)=O)=O)CC4=CC=CC=C4)=O)C(NCC(N5[C@@H](CCC5)C(N[C@H](C(O)=O)C(C)C)=O)=O)=O
Molecular Formula
C75H104N20O19
Molecular Weight
1589.75
References & Citations
[1]Jüppner H, Hesch RD, et al. Radioimmunoassay for human osteocalcin using an antibody raised against the synthetic human (h37-49) sequence. Calcif Tissue Int. 1986 Nov;39 (5) :310-5.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Glycylphenylalanylglutaminyl-alpha-glutamylalanyltyrosylarginylarginylphenylalanyltyrosylglycylprolylvaline
CAS Number89458-24-2
PubChem CID44134874
IUPAC Name4-[[5-amino-2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-5-[[1-[[1-[[5-carbamimidamido-1-[[5-carbamimidamido-1-[[1-[[1-[[2-[2-[(1-carboxy-2-methylpropyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC75H104N20O19
Molecular Weight1589.8
XLogP-3.2
Topological Polar Surface Area648
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count22
Rotatable Bond Count49
Heavy Atom Count114
Formal Charge0
Complexity3270
SMILES
CC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC5=CC=CC=C5)NC(=O)CN
InChI
InChI=1S/C75H104N20O19/c1-41(2)62(73(113)114)94-72(112)57-19-12-34-95(57)60(100)40-84-64(104)53(37-45-20-24-47(96)25-21-45)92-71(111)56(36-44-15-8-5-9-16-44)93-67(107)50(18-11-33-83-75(80)81)87-66(106)49(17-10-32-82-74(78)79)88-70(110)55(38-46-22-26-48(97)27-23-46)91-63(103)42(3)85-65(105)52(29-31-61(101)102)89-68(108)51(28-30-58(77)98)90-69(109)54(86-59(99)39-76)35-43-13-6-4-7-14-43/h4-9,13-16,20-27,41-42,49-57,62,96-97H,10-12,17-19,28-40,76H2,1-3H3,(H2,77,98)(H,84,104)(H,85,105)(H,86,99)(H,87,106)(H,88,110)(H,89,108)(H,90,109)(H,91,103)(H,92,111)(H,93,107)(H,94,112)(H,101,102)(H,113,114)(H4,78,79,82)(H4,80,81,83)
InChIKey
FRSSONJBDAMKPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Glycylphenylalanylglutaminyl-alpha-glutamylalanyltyrosylarginylarginylphenylalanyltyrosylglycylprolylvaline
CAS: 89458-24-2
CID: 44134874
Formula: C75H104N20O19
MW: 1589.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1589.8
XLogP3-3.2
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count22
Rotatable Bond Count49
Exact Mass1588.77866117
Monoisotopic Mass1588.77866117
Topological Polar Surface Area648 Ų
Heavy Atom Count114
Formal Charge0
Complexity3270
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count11
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
M40060Osteocalcin (37-49) (human)
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PE-100442-01Osteocalcin (37-49) (Human) Peptide
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CCP3024-01Osteocalcin (1-49) (Human)
MBS3848052-01Osteocalcin (1-49)(human)
E-PP-1658-01Osteocalcin (45-49), human
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