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

Systemtic Name: tert-butyl 2-(4-azanylbutanoylamino)-3-[3,4-bis(oxidanyl)phenyl]propanoate Openeye Name: tert-butyl 2-(4-aminobutanoylamino)-3-(3,4-dihydroxyphenyl)propanoate CAS Name: 2-[(4-amino-1-oxobutyl)amino]-3-(3,4-dihydroxyphenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-aminobutanoylamino)-3-(3,4-dihydroxyphenyl)propanoate Traditional Name: 2-(4-aminobutanoylamino)-3-(3,4-dihydroxyphenyl)propionic acid tert-butyl ester Formula: C17H26N2O5 MolecularWeight: 338.39874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O5/c1-17(2,3)24-16(23)12(19-15(22)5-4-8-18)9-11-6-7-13(20)14(21)10-11/h6-7,10,12,20-21H,4-5,8-9,18H2,1-3H3,(H,19,22)