(Q27123139)

CHEBI:52062 (English)

6 October 2016

chemical formula

C₁₇H₁₈N₃O₄S⁻

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)C(=O)[O-])C

1 reference

CHEBI:52062 (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)C(=O)[O-])C

1 reference

CHEBI:52062 (English)

InChI=1S/C17H19N3O4S/c1-17(2)12(16(23)24)20-14(22)11(15(20)25-17)19-13(21)10(18-3)9-7-5-4-6-8-9/h4-8,10-12,15H,3H2,1-2H3,(H,19,21)(H,23,24)/p-1/t10-,11-,12+,15-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

CHEBI:52062 (English)

FZECHKJQHUVANE-MCYUEQNJSA-M

6 October 2016

InChIKey

2 references

CHEBI:52062 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

6 October 2016

1 reference

CHEBI:52062 (English)

6 October 2016

ChEBI ID

52062

mapping relation type

1 reference