Marvin  04151115482D          

 15 14  0  0  1  0            999 V2000
    9.7048   -9.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9918   -9.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9903   -9.8479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9918   -8.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4193   -9.8479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2773   -9.8479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7048   -8.6103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2773  -10.6729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1338   -9.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5628   -9.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8483   -9.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7063   -9.8479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5628  -11.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5628  -11.9104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8483  -10.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  6  1  0  0  0  0
  2  4  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6  8  1  1  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 12  2  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
  8 13  1  0  0  0  0
M  END
> <ID>
CHEBI:40521

> <NAME>
N(alpha)-acetyl-L-arginine

> <DEFINITION>
An N-acetyl-L-amino acid that is L-arginine in which one of the hydrogens attached to the nitrogen is replaced by an acetyl group.

> <STAR>
3

> <SYNONYM>
N(2)-acetyl-L-arginine; N-Acetyl-L-arginine; N-Ac-L-Arg-OH

> <FORMULA>
C8H16N4O3

> <MASS>
216.23760

> <MONOISOTOPIC_MASS>
216.12224

> <CHARGE>
0

> <SMILES>
CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O

> <INCHI>
InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1

> <INCHIKEY>
SNEIUMQYRCDYCH-LURJTMIESA-N

> <CAS_REGISTRY_NUMBER>
155-84-0

> <REAXYS_REGISTRY_NUMBER>
1728469

> <CHEMIDPLUS>
155-84-0

> <PDBECHEM_ACCESSION>
AAG

> <PUBMED_CITATION>
11599938; 11672731; 18256486; 2897459

$$$$