(Q27123138)

CHEBI:52059 (English)

6 October 2016

chemical formula

C₁₉H₂₂N₃O₄S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1(C(N2C(S1)C(C2=O)N3C(=O)C(NC3(C)C)C4=CC=CC=C4)C(=O)[O-])C

1 reference

CHEBI:52059 (English)

6 October 2016

isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N3C(=O)[C@H](NC3(C)C)C4=CC=CC=C4)C(=O)[O-])C

1 reference

CHEBI:52059 (English)

InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/p-1/t11-,12-,13+,16-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

CHEBI:52059 (English)

DXVUYOAEDJXBPY-NFFDBFGFSA-M

6 October 2016

InChIKey

2 references

CHEBI:52059 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S,5R,6R)-6-[(4R)-2,2-Dimethyl-5-oxo-4-phenyl-1-imidazolidinyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (English)

6 October 2016

1 reference

CHEBI:52059 (English)

6 October 2016

Reaxys registry number

5405766

1 reference

hetacillin(1-) (English)

6 October 2016

ChEBI ID

52059

mapping relation type

1 reference