Ketcher 09031913032D 1   1.00000     0.00000     0

 11 10  0     1  0            999 V2000
    9.8629  -11.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7288  -12.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5949  -11.5790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4610  -12.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3269  -11.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7288  -13.0790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9968  -12.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8629  -10.5790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1308  -11.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3269  -10.5790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1930  -12.0790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0     0  0
  1  8  1  6     0  0
  2  1  1  0     0  0
  2  6  2  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5 10  2  0     0  0
  5 11  1  0     0  0
  7  9  1  0     0  0
M  END
> <ID>
CHEBI:144728

> <NAME>
N-[(2S)-2-aminobutanoyl]glycine

> <DEFINITION>
A dipeptide resulting from the formal condensation of the carboxy group of L-α-aminobutyric acid [(2S)-2-aminobutanoic acid] with the amino group of glycine.

> <STAR>
3

> <SYNONYM>
{[(2S)-2-aminobutanoyl]amino}acetic acid; H-Abu-Gly-OH; 2-[(2S)-2-aminobutanamido]acetic acid

> <IUPAC_NAME>
N-[(2S)-2-aminobutanoyl]glycine; N-(L-alpha-aminobutanoyl)glycine

> <FORMULA>
C6H12N2O3

> <MASS>
160.173

> <MONOISOTOPIC_MASS>
160.08479

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H12N2O3/c1-2-4(7)6(11)8-3-5(9)10/h4H,2-3,7H2,1H3,(H,8,11)(H,9,10)/t4-/m0/s1

> <INCHIKEY>
SVHUWZOIWWJJJM-BYPYZUCNSA-N

> <PUBMED_CITATION>
30692244

$$$$