methyl 2-(4-azanylbutanoylamino)-3-[3,4-bis(oxidanyl)phenyl]propanoate

Systemtic Name: methyl 2-(4-azanylbutanoylamino)-3-[3,4-bis(oxidanyl)phenyl]propanoate Openeye Name: methyl 2-(4-aminobutanoylamino)-3-(3,4-dihydroxyphenyl)propanoate CAS Name: 2-[(4-amino-1-oxobutyl)amino]-3-(3,4-dihydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 2-(4-aminobutanoylamino)-3-(3,4-dihydroxyphenyl)propanoate Traditional Name: 2-(4-aminobutanoylamino)-3-(3,4-dihydroxyphenyl)propionic acid methyl ester Formula: C14H20N2O5 MolecularWeight: 296.319

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C=C1)O)O)NC(=O)CCCN

Isomeric SMILES

COC(=O)C(CC1=CC(=C(C=C1)O)O)NC(=O)CCCN

InChI

InChI=1S/C14H20N2O5/c1-21-14(20)10(16-13(19)3-2-6-15)7-9-4-5-11(17)12(18)8-9/h4-5,8,10,17-18H,2-3,6-7,15H2,1H3,(H,16,19)