(Q27124151)

CHEBI:53669 (English)

6 October 2016

chemical formula

C₁₆H₁₆N₃O₅S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)[O-]

1 reference

CHEBI:53669 (English)

6 October 2016

isomeric SMILES

CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)[O-]

1 reference

CHEBI:53669 (English)

InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/p-1/t10-,11-,15-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

CHEBI:53669 (English)

BOEGTKLJZSQCCD-UEKVPHQBSA-M

6 October 2016

InChIKey

2 references

CHEBI:53669 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(6R,7R)-7-{[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (English)

6 October 2016

1 reference

CHEBI:53669 (English)

6 October 2016

ChEBI ID

53669

mapping relation type

1 reference