ampicillin(1-) (Q27122172)

AMPICILLIN SODIUM (English)

6 October 2016

chemical formula

C₁₆H₁₈N₃O₄S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)[O-])C

1 reference

AMPICILLIN SODIUM (English)

6 October 2016

isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)[O-])C

1 reference

AMPICILLIN SODIUM (English)

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)/p-1/t9-,10-,11+,14-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

AMPICILLIN SODIUM (English)

AVKUERGKIZMTKX-NJBDSQKTSA-M

6 October 2016

InChIKey

2 references

AMPICILLIN SODIUM (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S,5R,6R)-6-{[(2R)-2-Amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (English)

6 October 2016

1 reference

AMPICILLIN SODIUM (English)

6 October 2016

ChEBI ID

50658

mapping relation type

1 reference