cefalotin(1-) (Q27122246)

MLS000069577 (English)

6 October 2016

chemical formula

C₁₆H₁₅N₂O₆S₂⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)[O-]

1 reference

MLS000069577 (English)

6 October 2016

isomeric SMILES

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)[O-]

1 reference

MLS000069577 (English)

InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/p-1/t12-,15-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

MLS000069577 (English)

XIURVHNZVLADCM-IUODEOHRSA-M

6 October 2016

InChIKey

2 references

MLS000069577 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(6R,7R)-3-(Acetoxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (English)

6 October 2016

1 reference

MLS000069577 (English)

6 October 2016

Reaxys registry number

4165215

1 reference

cefalotin(1-) (English)

6 October 2016

ChEBI ID

50897

mapping relation type

1 reference