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Cyclo (RGDyK) 5mg

CAT: 0628-A21819-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A21819-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
217099-14-4

Chemical Information

cyclo[Arg-Gly-Asp-D-Tyr-Lys]
CAS Number217099-14-4
PubChem CID11157853
IUPAC Name2-[(2S,5R,8S,11S)-8-(4-aminobutyl)-11-[3-(diaminomethylideneamino)propyl]-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
Molecular FormulaC27H41N9O8
Molecular Weight619.7
XLogP-5
Topological Polar Surface Area293
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count44
Formal Charge0
Complexity1040
SMILES
C1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN=C(N)N)CCCCN)CC2=CC=C(C=C2)O)CC(=O)O
InChI
InChI=1S/C27H41N9O8/c28-10-2-1-4-18-24(42)34-17(5-3-11-31-27(29)30)23(41)32-14-21(38)33-20(13-22(39)40)26(44)36-19(25(43)35-18)12-15-6-8-16(37)9-7-15/h6-9,17-20,37H,1-5,10-14,28H2,(H,32,41)(H,33,38)(H,34,42)(H,35,43)(H,36,44)(H,39,40)(H4,29,30,31)/t17-,18-,19+,20-/m0/s1
InChIKey
LAROZEWEPNAWMD-HAGHYFMRSA-N
Chemical Structure
2D Structure
2D structure of cyclo[Arg-Gly-Asp-D-Tyr-Lys]
CAS: 217099-14-4
CID: 11157853
Formula: C27H41N9O8
MW: 619.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight619.7
XLogP3-5
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass619.30780930
Monoisotopic Mass619.30780930
Topological Polar Surface Area293 Ų
Heavy Atom Count44
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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