3-acetamidopropyl (2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]-2-methyl-propanoate

Systemtic Name: 3-acetamidopropyl (2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]-2-methyl-propanoate Openeye Name: 3-acetamidopropyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoate CAS Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid 3-acetamidopropyl ester IUPAC Name: 3-acetamidopropyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate Traditional Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propionic acid 3-acetamidopropyl ester Formula: C15H22N2O5 MolecularWeight: 310.34558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCOC(=O)C(C)(CC1=CC(=C(C=C1)O)O)N

Isomeric SMILES

CC(=O)NCCCOC(=O)[C@](C)(CC1=CC(=C(C=C1)O)O)N

InChI

InChI=1S/C15H22N2O5/c1-10(18)17-6-3-7-22-14(21)15(2,16)9-11-4-5-12(19)13(20)8-11/h4-5,8,19-20H,3,6-7,9,16H2,1-2H3,(H,17,18)/t15-/m0/s1