Marvin  04210816192D          

 11 10  0  0  0  0            999 V2000
    1.4289   -0.4714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4714    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -0.0589    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.7661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4288   -1.2965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143   -1.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143   -2.5340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.2965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3 11  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  2  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <ID>
CHEBI:41469

> <NAME>
N-carbamoyl-D-valine

> <STAR>
3

> <SYNONYM>
3-METHYL-2-UREIDO-BUTYRIC ACID; (2R)-2-[(aminocarbonyl)amino]-3-methylbutanoic acid

> <IUPAC_NAME>
N-carbamoyl-D-valine; (2R)-2-(carbamoylamino)-3-methylbutanoic acid

> <FORMULA>
C6H12N2O3

> <MASS>
160.17116

> <MONOISOTOPIC_MASS>
160.08479

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H12N2O3/c1-3(2)4(5(9)10)8-6(7)11/h3-4H,1-2H3,(H,9,10)(H3,7,8,11)/t4-/m1/s1

> <INCHIKEY>
JDXMIYHOSFNZKO-SCSAIBSYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
6844133

> <PDBECHEM_ACCESSION>
CDV

$$$$