(Q27122485)

CHEBI:51256 (English)

6 October 2016

chemical formula

C₁₆H₁₈N₃O₅S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

CHEBI:51256 (English)

6 October 2016

isomeric SMILES

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

1 reference

CHEBI:51256 (English)

InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/p-1/t9-,10-,11+,14-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

CHEBI:51256 (English)

LSQZJLSUYDQPKJ-NJBDSQKTSA-M

6 October 2016

InChIKey

2 references

CHEBI:51256 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

6 October 2016

1 reference

CHEBI:51256 (English)

6 October 2016

Reaxys registry number

6077298

1 reference

amoxicillin(1-) (English)

6 October 2016

ChEBI ID

51256

mapping relation type

1 reference