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Cyclo (RGDyC) 1mg

CAT: 0628-A23200-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A23200-1Size:1 mg
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CAS Number
1206475-79-7

Chemical Information

Cyclo(RGDyC)
CAS Number1206475-79-7
PubChem CID45107825
IUPAC Name2-[(2S,5R,8R,11S)-11-[3-(diaminomethylideneamino)propyl]-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-8-(sulfanylmethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
Molecular FormulaC24H34N8O8S
Molecular Weight594.6
XLogP-2.6
Topological Polar Surface Area268
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity1000
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)CS)CC2=CC=C(C=C2)O)CC(=O)O
InChI
InChI=1S/C24H34N8O8S/c25-24(26)27-7-1-2-14-20(37)28-10-18(34)29-16(9-19(35)36)22(39)31-15(8-12-3-5-13(33)6-4-12)21(38)32-17(11-41)23(40)30-14/h3-6,14-17,33,41H,1-2,7-11H2,(H,28,37)(H,29,34)(H,30,40)(H,31,39)(H,32,38)(H,35,36)(H4,25,26,27)/t14-,15+,16-,17-/m0/s1
InChIKey
MOAUBYMRAXXSJA-YVSFHVDLSA-N
Chemical Structure
2D Structure
2D structure of Cyclo(RGDyC)
CAS: 1206475-79-7
CID: 45107825
Formula: C24H34N8O8S
MW: 594.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.6
XLogP3-2.6
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass594.22203125
Monoisotopic Mass594.22203125
Topological Polar Surface Area268 Ų
Heavy Atom Count41
Formal Charge0
Complexity1000
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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