The Biofilms Structural Database |
AMPICILIN |
|
---|---|
3KP3 |
|
Code
AIC | |
Name |
(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID |
Molecular Weight |
349.4 |
Isomeric SMILES |
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O |
Formula |
C16H19N3O4S |
Identifiers |
(2S,5R,6R)-6-[[(2R)-2-amino-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
Formal Charge |
0 |
InChI |
InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1 |
Atom Count |
43 |
InChIKey |
AVKUERGKIZMTKX-NJBDSQKTSA-N |
PDB codes |
3KP3 |
Type |
NON-POLYMER |
Chiral Atom Count |
4 |
Chiral Atoms |
C12, C13, C14, C4 |
Bond Count |
45 |
Aromatic Bond Count |
6 |
Leaving Atoms |
n/a |