(Q27104180)

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

5 October 2016

chemical formula

C₈H₁₁N₂O₃S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

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

5 October 2016

isomeric SMILES

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

1 reference

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

InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/p-1/t3-,4+,6-/m1/s1

5 October 2016

Identifiers

InChI

1 reference

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

NGHVIOIJCVXTGV-ALEPSDHESA-M

5 October 2016

InChIKey

2 references

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

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

5 October 2016

2 references

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

matched by identifier from

5 October 2016

InChIKey

NGHVIOIJCVXTGV-ALEPSDHESA-M

Gmelin number

604420

0 references

ChEBI ID

30938

mapping relation type

2 references

6-aminopenicillanate (English)