ChEBI
  Marvin  06060816512D          

 25 25  0  0  1  0            999 V2000
   18.1908   -7.4687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6033   -8.1832    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.7783   -8.1832    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1949   -9.5916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0116   -8.7666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1866   -8.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1866   -9.5916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1949   -8.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4805   -8.3541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0515   -7.5291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7660   -8.7666    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7660   -9.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0515  -10.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0515  -10.0041    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.3370   -9.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0515   -8.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3370   -8.7666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6226   -8.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9081   -8.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1936   -8.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792   -8.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7647   -8.3541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3357   -8.3541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0502   -8.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0502   -9.5916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  3  1  1  0  0  0  0
  2  1  1  0  0  0  0
  2  6  1  6  0  0  0
  3  8  1  1  0  0  0
  8  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 16 10  2  0  0  0  0
 11 12  1  1  0  0  0
 12 14  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
> <ID>
CHEBI:30270

> <NAME>
E64

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42162; CHEBI:4729; CHEBI:30208

> <SYNONYM>
E-64; E 64; (2S,3S)-3-[((1S)-1-{[4-(carbamimidamido)butyl]carbamoyl}-3-methylbutyl)carbamoyl]oxirane-2-carboxylic acid; (2S,3S)-3-(N-{(S)-1-[N-(4-guanidinobutyl)carbamoyl]3-methylbutyl}carbamoyl)oxirane-2-carboxylic acid

> <FORMULA>
C15H27N5O5

> <MASS>
357.40558

> <MONOISOTOPIC_MASS>
357.20122

> <CHARGE>
0

> <SMILES>
CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)NCCCCNC(N)=N

> <INCHI>
InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1

> <INCHIKEY>
LTLYEAJONXGNFG-DCAQKATOSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
6666631

> <CAS_REGISTRY_NUMBER>
66701-25-5

> <CHEMIDPLUS>
66701-25-5

> <DRUGBANK_ACCESSION>
DB04276

> <KEGG_COMPOUND_ACCESSION>
C01341

> <PDBECHEM_ACCESSION>
E64

> <WIKIPEDIA_ACCESSION>
E-64

$$$$