Basic information
- CAS
141261-62-3- Standard SMILES
NC(N)=NC/C=C/[C@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C=O)c1ccccc1- InChIKey
XVEZVWHFWXVGBZ-WVRFHGKMSA-N- Molecular formula
- C20H27N7O6
- Average molar mass
- 461.5 g/mol
- Monoisotopic mass
- 461.20228161
Overview
highly specific antagonist for gpIIb/IIIa on platelets; used to study RGD peptide mediated inhibition of tumor metastasis
Names & identifiers
- Preferred name
- Cyclo-rgdphg
- IUPAC
- (3S)-3-[[2-[[(E,2S)-2-amino-5-(diaminomethylideneamino)pent-3-enoyl]amino]acetyl]amino]-4-oxo-4-[[(1S)-2-oxo-1-phenylethyl]amino]butanoic acid
- English name
- cyclo-RGDPhg
- Molecular formula
- C20H27N7O6
- Molecular weight
- 461.47168
Names & synonyms
Cyclo-rgdphgCyclo-arg-gly-asp-phgly141261-62-3Cyclic arginyl-glycyl-aspartyl-phenylglycylRefChem:129346(3S)-3-[[2-[[(E,2S)-2-amino-5-(diaminomethylideneamino)pent-3-enoyl]amino]acetyl]amino]-4-oxo-4-[[(1S)-2-oxo-1-phenylethyl]amino]butanoic acidCyclo(L-arginylglycyl-L-alpha-aspartyl-L-2-phenylglycyl)Cyclo[L-arginylglycyl-L-a-aspartyl-(2S)-2-phenylglycyl] (9CI)
Database identifiers
- CAS
141261-62-3- PubChem CID
- 6449872
Properties
Computed structural properties
- XLogP
- -5.1
- Topological polar surface area
- 232 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 760
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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