(Q27104626)

English

1'-(dimethylcarbamoyl)ferrocene-1-carboxylic acid

chemical compound

1-carboxy-1'-[(dimethylamino)carbonyl]ferrocene
[(1,2,3,4,5-eta)-1-carboxycyclopentadienyl][(1,2,3,4,5-eta)-1-(dimethylcarbamoyl)cyclopentadienyl]iron

In more languages

Statements

group of stereoisomers

0 references

chemical compound

0 references

301.04013083999996 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₄H₁₅FeNO₃

1 reference

RCSB protein data bank

language of work or name

16 February 2021

canonical SMILES

CN(C)C(C1=CC=C[CH]1)=O.C1=C[CH]C(=C1)C(=O)O.[Fe]

1 reference

language of work or name

1'-(dimethylcarbamoyl)ferrocene-1-carboxylic acid (English)

19 October 2016

isomeric SMILES

CN(C)C(=O)C12[C@@H]3[Fe]1456789([C@@H]3[C@H]4[C@H]52)[C@H]1[C@@H]6[C@@H]7C8([C@@H]91)C(=O)O

1 reference

RCSB protein data bank

language of work or name

16 February 2021

Identifiers

InChI=1S/C8H10NO.C6H5O2.Fe/c1-9(2)8(10)7-5-3-4-6-7;7-6(8)5-3-1-2-4-5;/h3-6H,1-2H3;1-4H,(H,7,8);

1 reference

language of work or name

1'-(dimethylcarbamoyl)ferrocene-1-carboxylic acid (English)

19 October 2016

QUKRDAUIFVLNSE-UHFFFAOYSA-N

2 references

language of work or name

1'-(dimethylcarbamoyl)ferrocene-1-carboxylic acid (English)

19 October 2016

ChEBI release 2020-09-01

mapping relation type

1 reference

language of work or name

1'-(dimethylcarbamoyl)ferrocene-1-carboxylic acid (English)

19 October 2016

IEDB Epitope ID

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

1 March 2022

0 references

PDB structure ID

1 reference

Protein Data Bank

PDB structure ID

language of work or name

1A3L (English)

19 October 2016

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