|
Amino
Acid
|
2D Structure
|
SMILES
Equivalent
|
H-X
Miscondense Sites
X=N, C, O, S |
 |
O=C(O)[C@@H](N)C
|
0, 1, 1, -
|
|
 |
SC[C@H](N)C(O)=O
|
0, 1, 1, 1
|
|
 |
OC(C[C@H](N)C(O)=O)=O
|
0, 1, 2, -
|
|
 |
O=C(O)[C@@H](N)CCC(O)=O
|
0, 2, 2, -
|
|
 |
N[C@H](C(O)=O)CC1=CC=CC=C1
|
0,1, 1, -
|
|
 |
O=C(O)CN
|
0, 1, 1, -
|
|
 |
N[C@@H](CC1=CN=CN1)C(O)=O
|
1, 3, 1, -
|
|
 |
O=C(O)[C@@H](N)[C@@H](C)CC
|
0, 3, 1, -
|
|
 |
N[C@H](C(O)=O)CCCCN
|
1, 4, 1, -
|
|
 |
N[C@@H](CC(C)C)C(O)=O
|
0, 3, 1, -
|
|
 |
OC([C@@H](N)CCSC)=O
|
0, 3, 1, -
|
|
 |
NC(C[C@H](N)C(O)=O)=O
|
1, 1, 1, -
|
|
 |
O=C([C@@H]1CCCN1)O
|
0, 3, 1, -
|
|
 |
OC([C@@H](N)CCC(N)=O)=O
|
1, 2, 1, -
|
|
 |
O=C(O)[C@@H](N)CCCNC(N)=N
|
3, 3, 1, -
|
|
 |
OC([C@@H](N)CO)=O
|
0, 1, 2, -
|
|
 |
N[C@H](C(O)=O)[C@H](O)C
|
0, 1, 2, -
|
|
 |
N[C@H](C(O)=O)C(C)C
|
0, 2, 1, -
|
|
 |
O=C(O)[C@@H](N)CC1=CNC2=C1C=CC=C2
|
1, 7, 1, -
|
|
 |
N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
|
0, 5, 2, -
|