Marvin  07041312192D          

 25 24  0  0  1  0            999 V2000
    9.3305   -7.4063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7594   -7.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0448   -6.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0449   -6.9938    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7594   -8.2312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3269   -5.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4736   -6.9936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9026   -6.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1880   -7.4062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9026   -6.1688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6167   -7.4063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3266   -4.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6126   -6.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1879   -8.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9023   -8.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9021   -9.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6168   -8.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0457   -7.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3311   -6.9937    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.0457   -8.2311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7598   -6.9936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3309   -6.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0453   -5.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0452   -4.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7599   -6.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  7  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  1  1  1  0  0  0
  3  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
  9  7  1  6  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 21 18  1  0  0  0  0
 19 11  1  1  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
> <ID>
CHEBI:74541

> <NAME>
Leu-Leu-Leu

> <DEFINITION>
A tripeptide formed from three L-leucine residues.

> <STAR>
3

> <SYNONYM>
Trileucine; LLL; leucylleucylleucine; Leucyl-leucyl-leucine; L-Leu-L-Leu-L-Leu

> <FORMULA>
C18H35N3O4

> <MASS>
357.48820

> <MONOISOTOPIC_MASS>
357.26276

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C18H35N3O4/c1-10(2)7-13(19)16(22)20-14(8-11(3)4)17(23)21-15(18(24)25)9-12(5)6/h10-15H,7-9,19H2,1-6H3,(H,20,22)(H,21,23)(H,24,25)/t13-,14-,15-/m0/s1

> <INCHIKEY>
DNDWZFHLZVYOGF-KKUMJFAQSA-N

> <CAS_REGISTRY_NUMBER>
10329-75-6

> <REAXYS_REGISTRY_NUMBER>
2478337

> <CHEMIDPLUS>
10329-75-6

$$$$