The Biofilms Structural Database

Back

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[[email protected]@H]2[[email protected]](NC(=O)[[email protected]](N)c3ccccc3)C(=O)N2[[email protected]]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