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RGD Negative Control

CAT: 0121-4099641.2001Size: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0121-4099641.2001Size:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
756500-24-0
Sequence
Cyclo (-Arg-Ala-Asp-D-Phe-Glu)
Molecular Formula
C₂₇H₃₈N₈O₉
Molecular Weight
618.65
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

RGD Negative Control trifluoroacetate salt
CAS Number756500-24-0
PubChem CID138376197
IUPAC Name3-[(2S,5S,8S,11S,14R)-14-benzyl-11-(carboxymethyl)-5-[3-(diaminomethylideneamino)propyl]-8-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propanoic acid;2,2,2-trifluoroacetic acid
Molecular FormulaC29H39F3N8O11
Molecular Weight732.7
Topological Polar Surface Area322
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Heavy Atom Count51
Formal Charge0
Complexity1190
SMILES
C[C@H]1C(=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)CCC(=O)O)CC2=CC=CC=C2)CC(=O)O.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C27H38N8O9.C2HF3O2/c1-14-22(40)34-19(13-21(38)39)26(44)35-18(12-15-6-3-2-4-7-15)25(43)33-17(9-10-20(36)37)24(42)32-16(23(41)31-14)8-5-11-30-27(28)29;3-2(4,5)1(6)7/h2-4,6-7,14,16-19H,5,8-13H2,1H3,(H,31,41)(H,32,42)(H,33,43)(H,34,40)(H,35,44)(H,36,37)(H,38,39)(H4,28,29,30);(H,6,7)/t14-,16-,17-,18+,19-;/m0./s1
InChIKey
AALJLJKPMVVQFT-ZVJIBTPSSA-N
Chemical Structure
2D Structure
2D structure of RGD Negative Control trifluoroacetate salt
CAS: 756500-24-0
CID: 138376197
Formula: C29H39F3N8O11
MW: 732.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight732.7
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Exact Mass732.26903858
Monoisotopic Mass732.26903858
Topological Polar Surface Area322 Ų
Heavy Atom Count51
Formal Charge0
Complexity1190
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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