Marvin  03270813512D          

 17 17  0  0  1  0            999 V2000
    2.1434    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.2357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.2357    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.1768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434    0.1768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.2357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.0018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5518   -0.4066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9684    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9684    1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  2  0  0  0  0
 10  1  1  0  0  0  0
  1  2  1  0  0  0  0
  3  8  1  1  0  0  0
  2  5  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  3  6  1  0  0  0  0
  6 13  1  6  0  0  0
  3  7  1  0  0  0  0
  7 15  1  0  0  0  0
 16  7  1  0  0  0  0
 11  8  2  0  0  0  0
  9  8  1  0  0  0  0
 14 16  2  0  0  0  0
 17 15  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
> <ID>
CHEBI:32963

> <NAME>
amidinoproclavaminic acid

> <STAR>
3

> <SECONDARY_ID>
CHEBI:13765; CHEBI:5562

> <SYNONYM>
Guanidinoproclavaminic acid; Guanidinoproclavaminate; Amidinoproclavaminate

> <IUPAC_NAME>
(2S,3R)-5-carbamimidamido-3-hydroxy-2-(2-oxoazetidin-1-yl)pentanoic acid

> <FORMULA>
C9H16N4O4

> <MASS>
244.24790

> <MONOISOTOPIC_MASS>
244.11716

> <CHARGE>
0

> <SMILES>
NC(=N)NCC[C@@H](O)[C@H](N1CCC1=O)C(O)=O

> <INCHI>
InChI=1S/C9H16N4O4/c10-9(11)12-3-1-5(14)7(8(16)17)13-4-2-6(13)15/h5,7,14H,1-4H2,(H,16,17)(H4,10,11,12)/t5-,7+/m1/s1

> <INCHIKEY>
MPNWPLYZGCKKFY-VDTYLAMSSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
6148541

> <KEGG_COMPOUND_ACCESSION>
C06657

$$$$