5961
  -OEChem-02210611112D

 20 19  0     1  0  0  0  0  0999 V2000
    3.4030    1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0600    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -0.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    0.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    0.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -0.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
5961

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAwY8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAAAAAIEADBKAgACAAEgAACQACQAQAIAAAAGAAAAACAgQAAAAIAAACAABIEAEAAAAAAEAAXnAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_NAME>
(2S)-2-amino-4-carbamoyl-butanoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S)-2-amino-4-aminocarbonyl-butanoic acid

> <PUBCHEM_NIST_INCHI>
InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h9H,7H2

> <PUBCHEM_CACTVS_XLOGP>
-4.102

> <PUBCHEM_OPENEYE_MF>
C5H10N2O3

> <PUBCHEM_OPENEYE_MW>
146.145

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(CC(=O)N)C(C(=O)O)N

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

> <PUBCHEM_CACTVS_TPSA>
106.41

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
2

> <PUBCHEM_SUBSTANCE_ID>
148793

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000056859

> <PUBCHEM_SUBSTANCE_SYNONYM>
(S)-2,5-Diamino-5-oxopentanoic acid
2,5-Diamino-5-oxopentanoic acid, (S)-
2-Aminoglutaramic acid, L-
32640-56-5
4-04-00-03038 (Beilstein Handbook Reference)
56-85-9
AI3-24392
BRN 1723797
Cebrogen
EINECS 200-292-1
FEMA No. 3684
GLUTAMINE, L-
Glavamin
Glumin
Glumin (amino acid)
Glutamic acid 5-amide
Glutamic acid amide
Glutamine
Glutamine (VAN)
Glutamine [USAN]
L-(+)-Glutamine
L-2-Aminoglutaramidic acid
L-Glutamic acid gamma-amide
L-Glutamide
L-Glutamine
Levoglutamid
Levoglutamida [INN-Spanish]
Levoglutamide
Levoglutamide [DCF:INN]
Levoglutamidum [INN-Latin]
Miglu-P
NSC 27421
Pentanoic acid, 2,5-diamino-5-oxo-, (S)-
Stimulina

> <PUBCHEM_GENERIC_REGISTRY_NAME>
32640-56-5
56-85-9

> <PUBCHEM_XREF_EXT_ID>
000056859

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=000056859

> <PUBCHEM_CID_ASSOCIATIONS>
5961  1

> <PUBCHEM_BONDANNOTATIONS>
2  1  6

$$$$