Basic information
- CAS
93674-98-7- Standard SMILES
C[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O- InChIKey
HZKLCOYAVAAQRD-VGMNWLOBSA-N- Molecular formula
- C15H27N7O7
- Average molar mass
- 417.42 g/mol
- Monoisotopic mass
- 417.1971962
Overview
binds to thrombin receptors and inhibits thrombin mitogenesis
Names & identifiers
- Preferred name
- Arginyl-glycyl-aspartyl-alanine
- IUPAC
- (3S)-3-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(1R)-1-carboxyethyl]amino]-4-oxobutanoic acid
- English name
- arginyl-glycyl-aspartyl-alanine
- Molecular formula
- C15H27N7O7
- Molecular weight
- 417.42
Names & synonyms
Arginyl-glycyl-aspartyl-alanineRgda peptideArg-gly-asp-ala93674-98-7DTXSID70239527RefChem:113927DTXCID20162018(3S)-3-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(1R)-1-carboxyethyl]amino]-4-oxobutanoic acidSCHEMBL29354613L-Alanine, N-(N-(N-L-arginylglycyl)-L-alpha-aspartyl)-N~5~-(Diaminomethylidene)-L-ornithylglycyl-L-alpha-aspartyl-D-alanineL-Alanine, L-arginylglycyl-L-α-aspartyl-
Database identifiers
- CAS
93674-98-7- PubChem CID
- 5486909
- DTXSID
DTXSID70239527
Properties
Computed structural properties
- XLogP
- -6.2
- Topological polar surface area
- 252 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 649
Physicochemical properties
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- 3.26 · 3.26±0.10(Predicted)
Chemistry & industry
Suppliers3 total
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
南京莱昂生物科技有限公司025-84523390 -127; 17705183659 · [email protected]
南京肽业生物科技有限公司025-58361106-805 15951641583 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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