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Procollagen Type I (212-216)

CAT: 0121-4025012.0005Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0121-4025012.0005Size:5 mg
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CAS Number
149128-48-3
Specifications
H-1592.0005
Synonyms
KTTKS
Sequence
H-Lys-Thr-Thr-Lys-Ser-OH
Molecular Formula
C₂₃H₄₅N₇O₉
Molecular Weight
563.65
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Pentapeptide-4
CAS Number149128-48-3
PubChem CID9959565
IUPAC Name(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoic acid
Molecular FormulaC23H45N7O9
Molecular Weight563.6
XLogP-6.8
Topological Polar Surface Area292
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count12
Rotatable Bond Count20
Heavy Atom Count39
Formal Charge0
Complexity802
SMILES
C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCCCN)N)O
InChI
InChI=1S/C23H45N7O9/c1-12(32)17(30-22(37)18(13(2)33)29-19(34)14(26)7-3-5-9-24)21(36)27-15(8-4-6-10-25)20(35)28-16(11-31)23(38)39/h12-18,31-33H,3-11,24-26H2,1-2H3,(H,27,36)(H,28,35)(H,29,34)(H,30,37)(H,38,39)/t12-,13-,14+,15+,16+,17+,18+/m1/s1
InChIKey
LDWBQGACJJOIKA-RHEFHGCGSA-N
Chemical Structure
2D Structure
2D structure of Pentapeptide-4
CAS: 149128-48-3
CID: 9959565
Formula: C23H45N7O9
MW: 563.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight563.6
XLogP3-6.8
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count12
Rotatable Bond Count20
Exact Mass563.32787604
Monoisotopic Mass563.32787604
Topological Polar Surface Area292 Ų
Heavy Atom Count39
Formal Charge0
Complexity802
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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