Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
3-Amino-4-[(1-benzyl-2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid	7421-84-3	2242

Structure

Other Information

Canonical SMILES	COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N
Iso SMILES	COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N
InChI	InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)
InChI Key	IAOZJIPTCAWIRG-UHFFFAOYSA-N
Formula	C14H18N2O5
Mol Weight	294.303
XlogP3	-2.7
Charge	0

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Synonyms Information

CAS Name	3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid
IUPAC Name	3-amino-4-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]-4-oxo-butanoic acid
Openeye Name	3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid
Systematic Name	3-azanyl-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid
Tratitional Name	3-azanyl-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid