N,N'-bis[(S)-1-methoxycarbonylethyl]fumaric diamide (CHEBI:215808)

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CHEBI:215808 - N,N'-bis[(S)-1-methoxycarbonylethyl]fumaric diamide

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ChEBI ID	CHEBI:215808
ChEBI Name	N,N'-bis[(S)-1-methoxycarbonylethyl]fumaric diamide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H18N2O6
Net Charge	0
Average Mass	286.284
Monoisotopic Mass	286.11649
SMILES	COC(=O)[C@H](C)NC(=O)/C=C/C(=O)N[C@@H](C)C(=O)OC
InChI	InChI=1S/C12H18N2O6/c1-7(11(17)19-3)13-9(15)5-6-10(16)14-8(2)12(18)20-4/h5-8H,1-4H3,(H,13,15)(H,14,16)/b6-5+/t7-,8-/m0/s1
InChIKey	NZYZLYFPFACZFH-JBGJSGBSSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	DOI (10.1007/s10600-018-2394-z)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	N,N'-bis[(S)-1-methoxycarbonylethyl]fumaric diamide (CHEBI:215808) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
methyl (2S)-2-[[(E)-4-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobut-2-enoyl]amino]propanoate

Manual Xrefs	Databases
71048830	ChemSpider