Basic information
- CAS
103960-56-1- Standard SMILES
NC(=NCCCC(N)C(=O)O)NC1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O- InChIKey
IWVSYNGKNZFSSA-UHFFFAOYSA-N- Molecular formula
- C21H35N9O15P2
- Average molar mass
- 715.5 g/mol
- Monoisotopic mass
- 715.17278544
Names & identifiers
- Preferred name
- 2-Amino-5-[[amino-[[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]amino]methylidene]amino]pentanoic acid
- IUPAC
- 2-amino-5-[[amino-[[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]amino]methylidene]amino]pentanoic acid
- English name
- alpha-ADP-ribosylarginine
- Molecular formula
- C21H35N9O15P2
- Molecular weight
- 715.51
Names & synonyms
2-amino-5-[[amino-[[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]amino]methylidene]amino]pentanoic acidN(w)-(ADP-D-ribosyl)-arginineN2-(ADP-D-ribosyl)-L-arginineN(w)-(ADP-D-ribosyl)-L-arginineN(omega)-(ADP-D-ribosyl)-arginineN(w)-(ADP-delta-ribosyl)-arginineN2-(ADP-delta-ribosyl)-L-arginineN(w)-(ADP-delta-ribosyl)-L-arginineN(omega)-(ADP-delta-ribosyl)-arginineN(omega)-(ADP-delta-ribosyl)-L-argininealpha-ADP-ribosylarginineADPRibosylarginine,ADP Ribosylarginine
Database identifiers
- CAS
103960-56-1- PubChem CID
- 493
Properties
Computed structural properties
- XLogP
- -9.5
- Topological polar surface area
- 385 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 16
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,210
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- FDA UNII
- 5024 CP23U · D5024CP23U
Chemistry & industry
Suppliers3 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: N(omega)-(ADP-D-ribosyl)-L-arginine is a L-arginine derivative. It has a role as an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor. It is functionally related to an ADP-D-ribose. It is a conjugate acid of a N(omega)-(ADP-D-ribosyl)-L-arginine(1-).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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