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RSR

CAT: 0013-GTR19153322-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153322-01Size:1 mg
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Description
RSR (CAS number: 115035-42-2) is a compound with a molecular weight of 417.5 Da and a purity of ≥95%.
CAS Number
115035-42-2
Purity
≥95%
Solubility
Soluble in water.
Smiles
O=C (N[C@H] (C (=O) O) CCC/N=C (\N) N) [C@@H] (NC (=O) [C@@H] (N) CCC/N=C (\N) N) CO
Molecular Formula
C15H31N9O5
Molecular Weight
417.5
Storage Conditions
Storage Temp: -20°C
Notes
For research use only.

Chemical Information

Arginylserylarginine
CAS Number115035-42-2
PubChem CID4168450
IUPAC Name2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular FormulaC15H31N9O5
Molecular Weight417.46
XLogP-7.4
Topological Polar Surface Area271
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count29
Formal Charge0
Complexity603
SMILES
C(CC(C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)O)N)CN=C(N)N
InChI
InChI=1S/C15H31N9O5/c16-8(3-1-5-21-14(17)18)11(26)24-10(7-25)12(27)23-9(13(28)29)4-2-6-22-15(19)20/h8-10,25H,1-7,16H2,(H,23,27)(H,24,26)(H,28,29)(H4,17,18,21)(H4,19,20,22)
InChIKey
VENMDXUVHSKEIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Arginylserylarginine
CAS: 115035-42-2
CID: 4168450
Formula: C15H31N9O5
MW: 417.46
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.46
XLogP3-7.4
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass417.24481512
Monoisotopic Mass417.24481512
Topological Polar Surface Area271 Ų
Heavy Atom Count29
Formal Charge0
Complexity603
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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