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1-(4-carboxybutanamido)-1'-(dimethylcarbamoyl)ferrocene

PropertiesImage
MNX_IDMNXM32461 Image of MNXM32461
referencechebi:63753
formulaC18H22FeN2O4
global charge0
mol weight386.229
InChIKeyNLQYMKZSSTTWRO-UHFFFAOYSA-N
InChIInChI=1S/C10H12NO3.C8H10NO.Fe/c12-9(6-3-7-10(13)14)11-8-4-1-2-5-8;1-9(2)8(10)7-5-3-4-6-7;/h1-2,4-5H,3,6-7H2,(H,11,12)(H,13,14);3-6H,1-2H3;
SMILESCN(C)C(=O)C12C3C4C5C1[Fe]45321678C2C1C6C7(NC(=O)CCCC(=O)O)C28
MNX internals
InChI (mnx)InChI=1/C10H12NO3.C8H10NO.Fe/c12-9(6-3-7-10(13)14)11-8-4-1-2-5-8;1-9(2)8(10)7-5-3-4-6-7;/h1-2,4-5H,3,6-7H2,(H,11,12)(H,13,14);3-6H,1-2H3; Image of MNXM32461
SMILES (mnx)[CH3:15][N:23]([CH3:16])[C:22]([C:21]1=[CH:19][CH:17]=[CH:18][CH:20]1)=[O:24].[CH:1]1=[CH:2][CH:5][C:8]([N:11]=[C:9]([CH2:6][CH2:3][CH2:7][C:10](=[O:13])[OH:14])[OH:12])=[CH:4]1.[Fe:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63753
chebi:63753
lipidmaps:LMFA08020163
lipidmapsM:LMFA08020163
NLQYMKZSSTTWRO-UHFFFAOYSA-N 		1-(4-carboxybutanamido)-1'-(dimethylcarbamoyl)ferrocene
1-[(4-carboxy-1-oxobutyl)amino]-1'-[(dimethylamino)carbonyl]ferrocene
1-[(4-carboxybutanoyl)amino]-1'-[(dimethylamino)carbonyl]ferrocene
{(1,2,3,4,5-eta)-1-(4-carboxybutanamido)cyclopentadienyl}[(1,2,3,4,5-eta)-1-(dimethylcarbamoyl)cyclopentadienyl]iron