General Information of the Compound
| Compound ID |
CP0067773
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino}pentanoic acid
Show/Hide
|
||||||||||||||||||
| Synonyms |
.omega.-Nitroarginine
AI3-62168
Arginine, .omega.-nitro-
Arginine, N(G)-nitro-
Arginine, omega-nitro-
Arginine, omega-nitro-, L-
C6H13N5O4
Dl-Nitro Arginine
EINECS 218-418-9
L-Ornithine, N5-(imino(nitroamino)methyl)-
L-Ornithine, N5-[imino(nitroamino)methyl]-
N(G)-Methyl-L-arginine
N(omega)-Nitroarginine
N(sup G)-Nitro-L-arginine
NO2Arg
NOARG
Nitroarginine
Norvaline, (+)-
n5-(n-nitrocarbamimidoyl)ornithine
nitroarginin
omega-Nitroarginine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C6H13N5O4
|
||||||||||||||||||
| Molecular Weight |
219.201
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MRAUNPAHJZDYCK-BYPYZUCNSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01911, Nitric oxide synthase 1
Protein ID: PT01594, Nitric oxide synthase 3
Protein ID: PT01718, Nitric oxide synthase, inducible
Clinical Information about the Compound