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C-telopeptide

CAT: 0931-TP1779-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TP1779-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
162929-64-8
Target
MMP
Related Pathways
Proteases/Proteasome
Bioactivity
C-telopeptide, a cross-linked peptide from type I collagen, is released during bone resorption and shows a correlation with bone mineral density (BMD) .
Smiles
[C@H](CC1=CN=CN1)(C(N[C@H](C(NCC(NCC(N[C@@H](CCCNC(=N)N)C(O)=O)=O)=O)=O)CC(O)=O)=O)NC([C@@H](NC([C@@H](NC([C@H](CCC(O)=O)N)=O)CCCCN)=O)C)=O
Molecular Formula
C34H56N14O13
Molecular Weight
868.9
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

C-telopeptide
CAS Number162929-64-8
PubChem CID10306403
IUPAC Name(4S)-4-amino-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[2-[[2-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC34H56N14O13
Molecular Weight868.9
XLogP-10.9
Topological Polar Surface Area461
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count17
Rotatable Bond Count30
Heavy Atom Count61
Formal Charge0
Complexity1580
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)N
InChI
InChI=1S/C34H56N14O13/c1-17(44-31(58)20(5-2-3-9-35)46-29(56)19(36)7-8-26(51)52)28(55)47-22(11-18-13-39-16-43-18)32(59)48-23(12-27(53)54)30(57)42-14-24(49)41-15-25(50)45-21(33(60)61)6-4-10-40-34(37)38/h13,16-17,19-23H,2-12,14-15,35-36H2,1H3,(H,39,43)(H,41,49)(H,42,57)(H,44,58)(H,45,50)(H,46,56)(H,47,55)(H,48,59)(H,51,52)(H,53,54)(H,60,61)(H4,37,38,40)/t17-,19-,20-,21-,22-,23-/m0/s1
InChIKey
LOJFGJZQOKTUBR-XAQOOIOESA-N
Chemical Structure
2D Structure
2D structure of C-telopeptide
CAS: 162929-64-8
CID: 10306403
Formula: C34H56N14O13
MW: 868.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight868.9
XLogP3-10.9
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count17
Rotatable Bond Count30
Exact Mass868.41512790
Monoisotopic Mass868.41512790
Topological Polar Surface Area461 Ų
Heavy Atom Count61
Formal Charge0
Complexity1580
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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