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Osteocalcin (7-19) (human)

CAT: 0804-HY-P3738Size: 1 EachDry Ice: NoHazardous: No
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Description
Osteocalcin (7-19) (human) is a peptide fragment of Osteocalcin, can be used as a peptide tag.
CAS Number
120944-72-1
UNSPSC
12352209
Target
Biochemical Assay Reagents
Type
Peptides
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/osteocalcin-7-19-human.html
Solubility
10 mM in DMSO
Smiles
O=C([C@H]1N(CCC1)C([C@H](C(C)C)NC([C@H]2N(CCC2)C([C@H](C)NC(CN)=O)=O)=O)=O)N[C@@H](CC3=CC=C(C=C3)O)C(N4[C@@H](CCC4)C(N[C@@H](CC(O)=O)C(N5[C@@H](CCC5)C(N[C@@H](CC(C)C)C(N[C@@H](CCC(O)=O)C(N6[C@@H](CCC6)C(N[C@H](C(O)=O)CCCNC(N)=N)=O)=O)=O)=O)=O)=O)=O
Molecular Formula
C65H98N16O19
Molecular Weight
1407.57
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Gly-Ala-Pro-Val-Pro-Tyr-Pro-Asp-Pro-Leu-Glu-Pro-Arg
CAS Number120944-72-1
PubChem CID5102728
IUPAC Name4-[[2-[[1-[2-[[1-[2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-5-[2-[[1-carboxy-4-(diaminomethylideneamino)butyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
Molecular FormulaC65H98N16O19
Molecular Weight1407.6
XLogP-4
Topological Polar Surface Area528
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count21
Rotatable Bond Count34
Heavy Atom Count100
Formal Charge0
Complexity3030
SMILES
CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C2CCCN2C(=O)C(CC(=O)O)NC(=O)C3CCCN3C(=O)C(CC4=CC=C(C=C4)O)NC(=O)C5CCCN5C(=O)C(C(C)C)NC(=O)C6CCCN6C(=O)C(C)NC(=O)CN
InChI
InChI=1S/C65H98N16O19/c1-34(2)30-41(53(88)71-39(22-23-50(84)85)60(95)78-26-8-13-44(78)54(89)72-40(64(99)100)12-6-24-69-65(67)68)73-55(90)45-14-9-28-80(45)62(97)43(32-51(86)87)75-56(91)46-15-10-27-79(46)61(96)42(31-37-18-20-38(82)21-19-37)74-57(92)47-16-11-29-81(47)63(98)52(35(3)4)76-58(93)48-17-7-25-77(48)59(94)36(5)70-49(83)33-66/h18-21,34-36,39-48,52,82H,6-17,22-33,66H2,1-5H3,(H,70,83)(H,71,88)(H,72,89)(H,73,90)(H,74,92)(H,75,91)(H,76,93)(H,84,85)(H,86,87)(H,99,100)(H4,67,68,69)
InChIKey
XEVUUFOXAJNOGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gly-Ala-Pro-Val-Pro-Tyr-Pro-Asp-Pro-Leu-Glu-Pro-Arg
CAS: 120944-72-1
CID: 5102728
Formula: C65H98N16O19
MW: 1407.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1407.6
XLogP3-4
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count21
Rotatable Bond Count34
Exact Mass1406.71941496
Monoisotopic Mass1406.71941496
Topological Polar Surface Area528 Ų
Heavy Atom Count100
Formal Charge0
Complexity3030
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count12
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes