 |
| Ligand Name: Nalpha-(N,N-dimethylcarbamoyl)-alpha-azalysinep-nitrophenyl ester |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB950 |
PubChem:
126633
|
Synonym(s):
- 142182-00-1
- ndcanp
- n(alpha)-(n,n-dimethylcarbamoyl)-alpha-azalysine 4-nitrophenyl ester
- dtxsid60161964
- (4-nitrophenyl) n-(4-aminobutyl)-n-(dimethylcarbamoylamino)carbamate
- n(alpha)(n,n-dimethylcarbamoyl)-alpha-azalysine 4-nitrophenyl ester
- hydrazinecarboxylic acid, 1-(4-aminobutyl)-2-((dimethylamino)carbonyl)-, 4-nitrophenyl ester
show 6 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CN(C)C(=O)NN(CCCCN)C(=O)Oc1ccc(cc1)[N+]([O-])=O |
| Standard InChI: InChI=1S/C14H21N5O5/c1-17(2)13(20)16-18(10-4-3-9-15)14(21)24-12-7-5-11(6-8-12)19(22)23/h5-8H,3-4,9-10,15H2,1-2H3,(H,16,20) |
| Molecular Formula: C14H21N5O5 |
Mol. Weight: 339.15427 |
logP: 1.3207 |
| HBD: 2 | HBA: 6 |
| #Rotatable Bonds: 6 | TPSA: 131.04 |