(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate (Q27098252)

(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate (English)

4 October 2016

chemical formula

C₁₆H₁₈N₂O₉S

1 reference

(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate (English)

4 October 2016

canonical SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(=O)C(=O)O)SC1)C(=O)O

1 reference

(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate (English)

4 October 2016

isomeric SMILES

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCCC(=O)C(=O)O)SC1)C(=O)O

1 reference

(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate (English)

InChI=1S/C16H18N2O9S/c1-7(19)27-5-8-6-28-14-11(13(22)18(14)12(8)16(25)26)17-10(21)4-2-3-9(20)15(23)24/h11,14H,2-6H2,1H3,(H,17,21)(H,23,24)(H,25,26)/t11-,14-/m1/s1

4 October 2016

Identifiers

InChI

1 reference

(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate (English)

UKRMDFPJXIVYCZ-BXUZGUMPSA-N

4 October 2016

InChIKey

2 references

(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate (English)

4 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(6R,7R)-3-(Acetoxymethyl)-7-[(5-carboxy-5-oxopentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (English)

4 October 2016

2 references

(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate (English)

matched by identifier from

4 October 2016

InChIKey

UKRMDFPJXIVYCZ-BXUZGUMPSA-N

Reaxys registry number

5395497

1 reference

(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanic acid (English)

4 October 2016

ChEBI ID

15838

mapping relation type

2 references

(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanic acid (English)